1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide

C20H30N2O2 — CID 109145123

IUPAC1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C20H30N2O2/c1-4-5-12-21-19(23)16-7-9-17(10-8-16)20(24)22-18-11-6-14(2)13-15(18)3/h6,11,13,16-17H,4-5,7-10,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVODOFKAIHHFLIJ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.96
Rot. Bonds6

About 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide

1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145123) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145123
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCC(C(=O)Nc2ccc(C)cc2C)CC1
InChIInChI=1S/C20H30N2O2/c1-4-5-12-21-19(23)16-7-9-17(10-8-16)20(24)22-18-11-6-14(2)13-15(18)3/h6,11,13,16-17H,4-5,7-10,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVODOFKAIHHFLIJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.96
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

N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-(2,4-dimethylphenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113006355
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149567
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
CID 90130717
N'-(2,4-dimethylphenyl)-N-pentylpropanediamide
CID 108951896
4-N-(3-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149844
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide (CID 109145123) is 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide is CCCCNC(=O)C1CCC(C(=O)Nc2ccc(C)cc2C)CC1.
What is the InChIKey of 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is VODOFKAIHHFLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-5-12-21-19(23)16-7-9-17(10-8-16)20(24)22-18-11-6-14(2)13-15(18)3/h6,11,13,16-17H,4-5,7-10,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.96, 6 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-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).