4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide

C20H20N2O3 — CID 3514195

IUPAC4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide
SMILESCC1=CCC(C(=O)Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C20H20N2O3/c1-14-7-12-18(20(23)21-16-5-3-2-4-6-16)19(13-14)15-8-10-17(11-9-15)22(24)25/h2-11,18-19H,12-13H2,1H3,(H,21,23)
InChIKeyPABWAFBCJHTSHO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.67
Rot. Bonds4

About 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide

4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide (PubChem CID 3514195) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide
PubChem CID3514195
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide
SMILESCC1=CCC(C(=O)Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C20H20N2O3/c1-14-7-12-18(20(23)21-16-5-3-2-4-6-16)19(13-14)15-8-10-17(11-9-15)22(24)25/h2-11,18-19H,12-13H2,1H3,(H,21,23)
InChIKeyPABWAFBCJHTSHO-UHFFFAOYSA-N
XLogP4.67
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide 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

(1S,6S)-4-methyl-6-[(4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 7349040
4-methyl-6-(4-nitrophenyl)-N-(thiophen-2-ylmethylideneamino)cyclohex-3-ene-1-carboxamide
CID 170908476
N-[(4-fluorophenyl)methylideneamino]-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxamide
CID 170908520
2,4-bis(4-nitrophenyl)-1-N,3-N-diphenylcyclobutane-1,3-dicarboxamide
CID 122396351
(1R,6R)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 6979036
(1S,6S)-1-(benzylcarbamoyl)-4-methyl-6-(4-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 6979035
1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
CID 4074557
(1R,6S)-6-[(4-acetamidophenyl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylate
CID 7064423
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
1-[(4-nitrophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 9134208
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
1-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]-3-(4-nitrophenyl)thiourea
CID 7304305

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide (CID 3514195) is 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide is CC1=CCC(C(=O)Nc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide?
The InChIKey is PABWAFBCJHTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-7-12-18(20(23)21-16-5-3-2-4-6-16)19(13-14)15-8-10-17(11-9-15)22(24)25/h2-11,18-19H,12-13H2,1H3,(H,21,23).
What are the key properties of 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide?
4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-nitrophenyl)-N-phenylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 3514195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).