4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide

C25H32N2O2 — CID 109148653

IUPAC4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C25H32N2O2/c1-4-27(17-20-10-6-5-7-11-20)25(29)22-15-13-21(14-16-22)24(28)26-23-12-8-9-18(2)19(23)3/h5-12,21-22H,4,13-17H2,1-3H3,(H,26,28)
InChIKeyGDYDYBFSSCMWCE-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.10
Rot. Bonds6

About 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide (PubChem CID 109148653) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
PubChem CID109148653
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C25H32N2O2/c1-4-27(17-20-10-6-5-7-11-20)25(29)22-15-13-21(14-16-22)24(28)26-23-12-8-9-18(2)19(23)3/h5-12,21-22H,4,13-17H2,1-3H3,(H,26,28)
InChIKeyGDYDYBFSSCMWCE-UHFFFAOYSA-N
XLogP5.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
(2R)-N-benzyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9287521

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide (CID 109148653) is 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CCC(C(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide?
The InChIKey is GDYDYBFSSCMWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-27(17-20-10-6-5-7-11-20)25(29)22-15-13-21(14-16-22)24(28)26-23-12-8-9-18(2)19(23)3/h5-12,21-22H,4,13-17H2,1-3H3,(H,26,28).
What are the key properties of 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide has a molecular weight of 392.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).