4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C20H30N2O2 — CID 109144641

IUPAC4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCC(C(=O)NC(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C20H30N2O2/c1-5-22(18-8-6-7-15(4)13-18)20(24)17-11-9-16(10-12-17)19(23)21-14(2)3/h6-8,13-14,16-17H,5,9-12H2,1-4H3,(H,21,23)
InChIKeyFQCLJBZSHHVCBN-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.68
Rot. Bonds5

About 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide

4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109144641) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109144641
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCCN(C(=O)C1CCC(C(=O)NC(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C20H30N2O2/c1-5-22(18-8-6-7-15(4)13-18)20(24)17-11-9-16(10-12-17)19(23)21-14(2)3/h6-8,13-14,16-17H,5,9-12H2,1-4H3,(H,21,23)
InChIKeyFQCLJBZSHHVCBN-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butan-2-yl-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145572
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
4-N-ethyl-4-N-(3-methylphenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150509
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151176
4-N-ethyl-1-N-[(4-fluorophenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148470
3-amino-N-ethyl-N-(3-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705842
3-[ethyl-(3-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782796
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109144641) is 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CCN(C(=O)C1CCC(C(=O)NC(C)C)CC1)c1cccc(C)c1.
What is the InChIKey of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is FQCLJBZSHHVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-5-22(18-8-6-7-15(4)13-18)20(24)17-11-9-16(10-12-17)19(23)21-14(2)3/h6-8,13-14,16-17H,5,9-12H2,1-4H3,(H,21,23).
What are the key properties of 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(3-methylphenyl)-1-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).