N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide

C23H22N2O2 — CID 7946567

IUPACN-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-22(26)16-21(18-11-4-2-5-12-18)25-23(27)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)/t21-/m1/s1
InChIKeyCHSOMJJUKZOICZ-OAQYLSRUSA-N
MW358.44 g/mol
LogP4.49
Rot. Bonds6

About N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 7946567) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID7946567
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-22(26)16-21(18-11-4-2-5-12-18)25-23(27)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)/t21-/m1/s1
InChIKeyCHSOMJJUKZOICZ-OAQYLSRUSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] (3R)-3-benzamido-3-phenylpropanoate
CID 2607431
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
(3R)-3-benzamido-3-[4-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
CID 54561249
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide (CID 7946567) is N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide is Cc1ccccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is CHSOMJJUKZOICZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-10-8-9-15-20(17)24-22(26)16-21(18-11-4-2-5-12-18)25-23(27)19-13-6-3-7-14-19/h2-15,21H,16H2,1H3,(H,24,26)(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 7946567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).