1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

C20H30N2O2 — CID 109145059

IUPAC1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N2O2/c1-3-4-13-21-19(23)17-9-11-18(12-10-17)20(24)22-14-16-7-5-15(2)6-8-16/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMOIDTAPOBMEYCG-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.33
Rot. Bonds7

About 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145059) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145059
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N2O2/c1-3-4-13-21-19(23)17-9-11-18(12-10-17)20(24)22-14-16-7-5-15(2)6-8-16/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMOIDTAPOBMEYCG-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.33
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

1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
1-[(4-methylphenyl)methyl]-3-pentylurea
CID 3834489
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109145059) is 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is CCCCNC(=O)C1CCC(C(=O)NCc2ccc(C)cc2)CC1.
What is the InChIKey of 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is MOIDTAPOBMEYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-4-13-21-19(23)17-9-11-18(12-10-17)20(24)22-14-16-7-5-15(2)6-8-16/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).