N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide

C31H27N3O2 — CID 5338174

IUPACN-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide
SMILESCC(NC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27N3O2/c1-21(23-11-5-3-6-12-23)32-31(36)27(33-30(35)24-13-7-4-8-14-24)20-22-17-18-29-26(19-22)25-15-9-10-16-28(25)34(29)2/h3-21H,1-2H3,(H,32,36)(H,33,35)/b27-20+
InChIKeyPWUOQUUMQUDVEC-NHFJDJAPSA-N
MW473.58 g/mol
LogP5.98
Rot. Bonds6

About N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide

N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide (PubChem CID 5338174) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide
PubChem CID5338174
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC NameN-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide
SMILESCC(NC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27N3O2/c1-21(23-11-5-3-6-12-23)32-31(36)27(33-30(35)24-13-7-4-8-14-24)20-22-17-18-29-26(19-22)25-15-9-10-16-28(25)34(29)2/h3-21H,1-2H3,(H,32,36)(H,33,35)/b27-20+
InChIKeyPWUOQUUMQUDVEC-NHFJDJAPSA-N
XLogP5.98
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-3-(9-methylcarbazol-3-yl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 27520772
3-[[(E)-2-benzamido-3-(9-methylcarbazol-3-yl)prop-2-enoyl]amino]propanoic acid
CID 6035875
N-[(E)-3-(methylamino)-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 1284675
4-chloro-N-[(Z)-1-[5-(4-chlorophenyl)furan-2-yl]-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide
CID 6525173
2-[[(Z)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 21158706
N-[(Z)-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100586118
(2R)-2-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoate
CID 7241531
2-acetamido-3-(3-nitrophenyl)-N-(1-phenylethyl)prop-2-enamide
CID 4926221
(2S)-2-[[(E)-2-benzamido-3-(3-propan-2-yloxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 6851257
N-[(E)-1-(furan-2-yl)-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-en-2-yl]-4-methoxybenzamide
CID 7378501
N-[(E)-3-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19300897
N-[(Z)-3-(2,4-dimethylpentan-3-ylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100624682

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide (CID 5338174) is N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide is CC(NC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide?
The InChIKey is PWUOQUUMQUDVEC-NHFJDJAPSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-21(23-11-5-3-6-12-23)32-31(36)27(33-30(35)24-13-7-4-8-14-24)20-22-17-18-29-26(19-22)25-15-9-10-16-28(25)34(29)2/h3-21H,1-2H3,(H,32,36)(H,33,35)/b27-20+.
What are the key properties of N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide?
N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(9-methylcarbazol-3-yl)-3-oxo-3-(1-phenylethylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 5338174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).