1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide

C24H30N2O2 — CID 40704434

IUPAC1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C24H30N2O2/c1-3-17-9-5-7-11-21(17)25-23(27)19-13-15-20(16-14-19)24(28)26-22-12-8-6-10-18(22)4-2/h5-12,19-20H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQNWPXLQHZDVEKO-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.20
Rot. Bonds6

About 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 40704434) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID40704434
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C24H30N2O2/c1-3-17-9-5-7-11-21(17)25-23(27)19-13-15-20(16-14-19)24(28)26-22-12-8-6-10-18(22)4-2/h5-12,19-20H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQNWPXLQHZDVEKO-UHFFFAOYSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109150141
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
N-(2-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide (CID 40704434) is 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide is CCc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is QNWPXLQHZDVEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-17-9-5-7-11-21(17)25-23(27)19-13-15-20(16-14-19)24(28)26-22-12-8-6-10-18(22)4-2/h5-12,19-20H,3-4,13-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 378.52 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 40704434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).