4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 109150526

IUPAC4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCC(C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-17(2)18-13-15-21(16-14-18)25-23(27)19-9-11-20(12-10-19)24(28)26(3)22-7-5-4-6-8-22/h4-8,13-17,19-20H,9-12H2,1-3H3,(H,25,27)
InChIKeyIQOLRNZSGPEZQQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.22
Rot. Bonds5

About 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide

4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109150526) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109150526
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCC(C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N2O2/c1-17(2)18-13-15-21(16-14-18)25-23(27)19-9-11-20(12-10-19)24(28)26(3)22-7-5-4-6-8-22/h4-8,13-17,19-20H,9-12H2,1-3H3,(H,25,27)
InChIKeyIQOLRNZSGPEZQQ-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide 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

ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
1-N-(3-chloro-2-methylphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150532
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119337319
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide (CID 109150526) is 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is CC(C)c1ccc(NC(=O)C2CCC(C(=O)N(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is IQOLRNZSGPEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-17(2)18-13-15-21(16-14-18)25-23(27)19-9-11-20(12-10-19)24(28)26(3)22-7-5-4-6-8-22/h4-8,13-17,19-20H,9-12H2,1-3H3,(H,25,27).
What are the key properties of 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-phenyl-1-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109150526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).