4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide

C24H23N3O3 — CID 55333107

IUPAC4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-25-23(29)19-12-14-20(15-13-19)26-22(28)16-21(17-8-4-2-5-9-17)27-24(30)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyRRYJSSDKFWAGPI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.55
Rot. Bonds7

About 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide

4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide (PubChem CID 55333107) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
PubChem CID55333107
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-25-23(29)19-12-14-20(15-13-19)26-22(28)16-21(17-8-4-2-5-9-17)27-24(30)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyRRYJSSDKFWAGPI-UHFFFAOYSA-N
XLogP3.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
N-[3-oxo-1-phenyl-3-[4-(1,2,4-triazol-1-yl)anilino]propyl]benzamide
CID 55561337
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[3-[4-(3-methylpyrrolidin-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 56559267

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide (CID 55333107) is 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide?
The InChIKey is RRYJSSDKFWAGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-25-23(29)19-12-14-20(15-13-19)26-22(28)16-21(17-8-4-2-5-9-17)27-24(30)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide?
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide has a molecular weight of 401.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 55333107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).