4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

C24H30N2O3 — CID 109148110

IUPAC4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-29-22-13-11-21(12-14-22)26-24(28)20-9-7-19(8-10-20)23(27)25-16-18-6-4-5-17(2)15-18/h4-6,11-15,19-20H,3,7-10,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQMVHYMRTLAFADK-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.46
Rot. Bonds7

About 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148110) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148110
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-29-22-13-11-21(12-14-22)26-24(28)20-9-7-19(8-10-20)23(27)25-16-18-6-4-5-17(2)15-18/h4-6,11-15,19-20H,3,7-10,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQMVHYMRTLAFADK-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-(4-acetylphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148113
N-[(4-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46774651
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
4-N-(3-fluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148115
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[4-(4-ethoxyphenoxy)phenyl]cyclopropanecarboxamide
CID 2446885
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 76866423
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148110) is 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is CCOc1ccc(NC(=O)C2CCC(C(=O)NCc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is QMVHYMRTLAFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-29-22-13-11-21(12-14-22)26-24(28)20-9-7-19(8-10-20)23(27)25-16-18-6-4-5-17(2)15-18/h4-6,11-15,19-20H,3,7-10,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).