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

C34H34N2O2 — CID 59642236

IUPAC1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(N(C(=O)C2CCC(C(=O)N(c3ccccc3)c3cccc(C)c3)CC2)c2ccccc2)c1
InChIInChI=1S/C34H34N2O2/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/h3-18,23-24,27-28H,19-22H2,1-2H3
InChIKeyOGUWBNPFVNVIQL-UHFFFAOYSA-N
MW502.66 g/mol
LogP8.14
Rot. Bonds6

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

1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide (PubChem CID 59642236) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
PubChem CID59642236
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Name1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide
SMILESCc1cccc(N(C(=O)C2CCC(C(=O)N(c3ccccc3)c3cccc(C)c3)CC2)c2ccccc2)c1
InChIInChI=1S/C34H34N2O2/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/h3-18,23-24,27-28H,19-22H2,1-2H3
InChIKeyOGUWBNPFVNVIQL-UHFFFAOYSA-N
XLogP8.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide;ethane
CID 143136668
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-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
2-[N-(1-carboxyethyl)-3-methylanilino]propanoic acid
CID 18692796
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 113006248
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
N-(3-aminopropyl)-N-(3-methylphenyl)cyclohexanecarboxamide
CID 28766909

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide (CID 59642236) is 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide is 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?
The InChIKey is OGUWBNPFVNVIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2/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/h3-18,23-24,27-28H,19-22H2,1-2H3.
What are the key properties of 1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(3-methylphenyl)-1-N,4-N-diphenylcyclohexane-1,4-dicarboxamide has a molecular weight of 502.66 g/mol, XLogP of 8.14, 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 is sourced from PubChem (CID 59642236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).