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

C20H30N2O2 — CID 109149567

IUPAC4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H30N2O2/c1-13-6-11-17(14(2)12-13)21-18(23)15-7-9-16(10-8-15)19(24)22-20(3,4)5/h6,11-12,15-16H,7-10H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyRKFZSXFWYAKMKM-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.96
Rot. Bonds3

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

4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149567) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149567
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H30N2O2/c1-13-6-11-17(14(2)12-13)21-18(23)15-7-9-16(10-8-15)19(24)22-20(3,4)5/h6,11-12,15-16H,7-10H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyRKFZSXFWYAKMKM-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
1-N-(2-bromo-4-methylphenyl)-4-N-tert-butylcyclohexane-1,4-dicarboxamide
CID 109149632
(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
CID 90130717
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
1-N-butyl-4-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145123
1-(cyclopropanecarbonylamino)-3-(2,4-dimethylphenyl)thiourea
CID 4282829
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2,4-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152381
N-(2,4-dimethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027084
tert-butyl 2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876304
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide (CID 109149567) is 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide is Cc1ccc(NC(=O)C2CCC(C(=O)NC(C)(C)C)CC2)c(C)c1.
What is the InChIKey of 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is RKFZSXFWYAKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-13-6-11-17(14(2)12-13)21-18(23)15-7-9-16(10-8-15)19(24)22-20(3,4)5/h6,11-12,15-16H,7-10H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).