N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide

C23H22N4O3 — CID 55527938

IUPACN-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESNC(=O)Nc1ccc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O3/c24-23(30)26-19-13-11-18(12-14-19)25-21(28)15-20(16-7-3-1-4-8-16)27-22(29)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,25,28)(H,27,29)(H3,24,26,30)
InChIKeyHMDHYNOVGQYZMV-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55527938) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55527938
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESNC(=O)Nc1ccc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O3/c24-23(30)26-19-13-11-18(12-14-19)25-21(28)15-20(16-7-3-1-4-8-16)27-22(29)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,25,28)(H,27,29)(H3,24,26,30)
InChIKeyHMDHYNOVGQYZMV-UHFFFAOYSA-N
XLogP3.68
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
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
3-(carbamoylamino)-N-(4-ethylphenyl)-3-phenylpropanamide
CID 24605702
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
4-(carbamoylamino)-N-[2-(4-chlorophenyl)-1-phenylethyl]benzamide
CID 55976674
methyl 4-[[2-[(3R)-3-benzamido-3-phenylpropanoyl]oxyacetyl]amino]benzoate
CID 29170764
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide (CID 55527938) is N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide is NC(=O)Nc1ccc(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is HMDHYNOVGQYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c24-23(30)26-19-13-11-18(12-14-19)25-21(28)15-20(16-7-3-1-4-8-16)27-22(29)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,25,28)(H,27,29)(H3,24,26,30).
What are the key properties of N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55527938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).