4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 109149525

IUPAC4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-18-8-5-6-12-22(18)26-24(28)21-15-13-20(14-16-21)23(27)25-17-7-11-19-9-3-2-4-10-19/h2-6,8-10,12,20-21H,7,11,13-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyYJUQRTAICNVEKE-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.49
Rot. Bonds7

About 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide

4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149525) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149525
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1NC(=O)C1CCC(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C24H30N2O2/c1-18-8-5-6-12-22(18)26-24(28)21-15-13-20(14-16-21)23(27)25-17-7-11-19-9-3-2-4-10-19/h2-6,8-10,12,20-21H,7,11,13-17H2,1H3,(H,25,27)(H,26,28)
InChIKeyYJUQRTAICNVEKE-UHFFFAOYSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
1-N-[2-(4-methoxyphenyl)ethyl]-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149171
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
4-N-(5-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148994
4-N-(4-chloro-2-methylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148995
4-N-(3,4-dimethylphenyl)-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148979
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide (CID 109149525) is 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is Cc1ccccc1NC(=O)C1CCC(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is YJUQRTAICNVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-18-8-5-6-12-22(18)26-24(28)21-15-13-20(14-16-21)23(27)25-17-7-11-19-9-3-2-4-10-19/h2-6,8-10,12,20-21H,7,11,13-17H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide?
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).