N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide

C25H26N2O3 — CID 92869374

IUPACN-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2C)c1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-4-20(18-11-6-5-7-12-18)24(28)26-19-14-15-23(30-3)22(16-19)27-25(29)21-13-9-8-10-17(21)2/h5-16,20H,4H2,1-3H3,(H,26,28)(H,27,29)/t20-/m1/s1
InChIKeyZLNUYNNQKZYVKW-HXUWFJFHSA-N
MW402.49 g/mol
LogP5.39
Rot. Bonds7

About N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide

N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide (PubChem CID 92869374) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide
PubChem CID92869374
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2C)c1)c1ccccc1
InChIInChI=1S/C25H26N2O3/c1-4-20(18-11-6-5-7-12-18)24(28)26-19-14-15-23(30-3)22(16-19)27-25(29)21-13-9-8-10-17(21)2/h5-16,20H,4H2,1-3H3,(H,26,28)(H,27,29)/t20-/m1/s1
InChIKeyZLNUYNNQKZYVKW-HXUWFJFHSA-N
XLogP5.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-5-(2-phenylbutanoylamino)phenyl]-3-methylbenzamide
CID 46323234
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-(2-methoxy-4-methylphenyl)-2-phenylbutanamide
CID 3495763
N-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
CID 953068
N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
CID 9245233

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide (CID 92869374) is N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide is CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2C)c1)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide?
The InChIKey is ZLNUYNNQKZYVKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-4-20(18-11-6-5-7-12-18)24(28)26-19-14-15-23(30-3)22(16-19)27-25(29)21-13-9-8-10-17(21)2/h5-16,20H,4H2,1-3H3,(H,26,28)(H,27,29)/t20-/m1/s1.
What are the key properties of N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide?
N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide has a molecular weight of 402.49 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 92869374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).