B3F

~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide

Created:	2023-07-17
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	12

2D diagram of B3F

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Chemical Component Summary
Name	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
Formula	C₂₀ H₂₆ N₂ O₂
Molecular Weight	326.433
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1
SMILES	OpenEye OEToolkits	2.0.7	CCCCCOc1cccc(c1)Nc2ccccc2NC(=O)CC
Canonical SMILES	CACTVS	3.385	CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCOc1cccc(c1)Nc2ccccc2NC(=O)CC
InChI	InChI	1.06	InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23)
InChIKey	InChI	1.06	PLPSUHSYADCJSK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169490958

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