N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide

C25H26N2O3 — CID 9245233

IUPACN-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
SMILESCCCC(C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-3-9-21(18-10-5-4-6-11-18)25(29)26-20-16-14-19(15-17-20)24(28)27-22-12-7-8-13-23(22)30-2/h4-8,10-17,21H,3,9H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyTUSWRCDPSSURSJ-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.47
Rot. Bonds8

About N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide (PubChem CID 9245233) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
PubChem CID9245233
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
SMILESCCCC(C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-3-9-21(18-10-5-4-6-11-18)25(29)26-20-16-14-19(15-17-20)24(28)27-22-12-7-8-13-23(22)30-2/h4-8,10-17,21H,3,9H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyTUSWRCDPSSURSJ-UHFFFAOYSA-N
XLogP5.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
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CID 8898758
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
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N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
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(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
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CID 4879742
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-hydroxy-4-[(4-methoxy-2-phenylbutanoyl)amino]benzamide
CID 53257584
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide (CID 9245233) is N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide is CCCC(C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide?
The InChIKey is TUSWRCDPSSURSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-9-21(18-10-5-4-6-11-18)25(29)26-20-16-14-19(15-17-20)24(28)27-22-12-7-8-13-23(22)30-2/h4-8,10-17,21H,3,9H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide is sourced from PubChem (CID 9245233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).