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

C20H30N2O2 — CID 109149427

IUPAC4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C20H30N2O2/c1-4-15-9-7-8-10-18(15)21-19(23)16-11-13-17(14-12-16)20(24)22(5-2)6-3/h7-10,16-17H,4-6,11-14H2,1-3H3,(H,21,23)
InChIKeyCBSPPIWYTMRJKE-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.86
Rot. Bonds6

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

4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149427) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149427
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C20H30N2O2/c1-4-15-9-7-8-10-18(15)21-19(23)16-11-13-17(14-12-16)20(24)22(5-2)6-3/h7-10,16-17H,4-6,11-14H2,1-3H3,(H,21,23)
InChIKeyCBSPPIWYTMRJKE-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109150141
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
N-(2-ethylphenyl)-3-oxocyclobutane-1-carboxamide
CID 75395648
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380
4-N-benzyl-1-N-(2,3-dimethylphenyl)-4-N-ethylcyclohexane-1,4-dicarboxamide
CID 109148653

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide (CID 109149427) is 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide is CCc1ccccc1NC(=O)C1CCC(C(=O)N(CC)CC)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is CBSPPIWYTMRJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-15-9-7-8-10-18(15)21-19(23)16-11-13-17(14-12-16)20(24)22(5-2)6-3/h7-10,16-17H,4-6,11-14H2,1-3H3,(H,21,23).
What are the key properties of 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).