1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane

C36H40N2O2 — CID 143136668

IUPAC1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane
SMILESCC.Cc1cccc(N(C(=O)C2CCC(C(=O)N(c3ccccc3)c3cccc(C)c3)CC2)c2ccccc2)c1
InChIInChI=1S/C34H34N2O2.C2H6/c1-25-11-9-17-31(23-25)35(29-13-5-3-6-14-29)33(37)27-19-21-28(22-20-27)34(38)36(30-15-7-4-8-16-30)32-18-10-12-26(2)24-32;1-2/h3-18,23-24,27-28H,19-22H2,1-2H3;1-2H3
InChIKeyZGLWLEREMINEBQ-UHFFFAOYSA-N
MW532.73 g/mol
LogP9.17
Rot. Bonds6

About 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane

1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane (PubChem CID 143136668) has the molecular formula C36H40N2O2 and a molecular weight of 532.73 g/mol. Its IUPAC name is 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane.

Molecular Properties

Compound Name1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane
PubChem CID143136668
Molecular FormulaC36H40N2O2
Molecular Weight532.73 g/mol
Exact Mass532.31
IUPAC Name1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane
SMILESCC.Cc1cccc(N(C(=O)C2CCC(C(=O)N(c3ccccc3)c3cccc(C)c3)CC2)c2ccccc2)c1
InChIInChI=1S/C34H34N2O2.C2H6/c1-25-11-9-17-31(23-25)35(29-13-5-3-6-14-29)33(37)27-19-21-28(22-20-27)34(38)36(30-15-7-4-8-16-30)32-18-10-12-26(2)24-32;1-2/h3-18,23-24,27-28H,19-22H2,1-2H3;1-2H3
InChIKeyZGLWLEREMINEBQ-UHFFFAOYSA-N
XLogP9.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.73
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane 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

1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
CID 59642236
1-N-(3-chlorophenyl)-4-N-(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
CID 59664379
N-(2-iodo-5-methylphenyl)-N-phenylcyclopropanecarboxamide
CID 175052367
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144641
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
2-[N-(1-carboxyethyl)-3-methylanilino]propanoic acid
CID 18692796

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane?
The IUPAC name of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane (CID 143136668) is 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane.
What is the SMILES notation for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane?
The canonical SMILES for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane is CC.Cc1cccc(N(C(=O)C2CCC(C(=O)N(c3ccccc3)c3cccc(C)c3)CC2)c2ccccc2)c1.
What is the InChIKey of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane?
The InChIKey is ZGLWLEREMINEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2.C2H6/c1-25-11-9-17-31(23-25)35(29-13-5-3-6-14-29)33(37)27-19-21-28(22-20-27)34(38)36(30-15-7-4-8-16-30)32-18-10-12-26(2)24-32;1-2/h3-18,23-24,27-28H,19-22H2,1-2H3;1-2H3.
What are the key properties of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane?
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane has a molecular weight of 532.73 g/mol, XLogP of 9.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane is sourced from PubChem (CID 143136668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).