N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide

C25H22N2O2 — CID 55573881

IUPACN-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O2/c28-24(26-22-13-11-20(12-14-22)19-4-2-1-3-5-19)17-8-18-6-9-21(10-7-18)25(29)27-23-15-16-23/h1-14,17,23H,15-16H2,(H,26,28)(H,27,29)/b17-8+
InChIKeyXUDURLYTBPXVNN-CAOOACKPSA-N
MW382.46 g/mol
LogP4.90
Rot. Bonds6

About N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide (PubChem CID 55573881) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
PubChem CID55573881
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H22N2O2/c28-24(26-22-13-11-20(12-14-22)19-4-2-1-3-5-19)17-8-18-6-9-21(10-7-18)25(29)27-23-15-16-23/h1-14,17,23H,15-16H2,(H,26,28)(H,27,29)/b17-8+
InChIKeyXUDURLYTBPXVNN-CAOOACKPSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-[(E)-3-(4-methylsulfanylanilino)-3-oxoprop-1-enyl]benzamide
CID 35736991
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
N-cyclopropyl-4-[(E)-3-[4-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 46423867
N-cyclopropyl-4-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]benzamide
CID 35557202
N-cyclopropyl-4-[[(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]amino]benzamide
CID 18230757
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
N-cyclopropyl-4-[(E)-3-[2-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 46569141
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55564049

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide (CID 55573881) is N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide?
The InChIKey is XUDURLYTBPXVNN-CAOOACKPSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-24(26-22-13-11-20(12-14-22)19-4-2-1-3-5-19)17-8-18-6-9-21(10-7-18)25(29)27-23-15-16-23/h1-14,17,23H,15-16H2,(H,26,28)(H,27,29)/b17-8+.
What are the key properties of N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide is sourced from PubChem (CID 55573881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).