4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

C24H30N2O3 — CID 109148040

IUPAC4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C24H30N2O3/c1-16-8-13-22(29-3)21(14-16)26-24(28)19-11-9-18(10-12-19)23(27)25-15-20-7-5-4-6-17(20)2/h4-8,13-14,18-19H,9-12,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyOBVHQLSCQGWSNC-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.37
Rot. Bonds6

About 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109148040) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109148040
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C24H30N2O3/c1-16-8-13-22(29-3)21(14-16)26-24(28)19-11-9-18(10-12-19)23(27)25-15-20-7-5-4-6-17(20)2/h4-8,13-14,18-19H,9-12,15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyOBVHQLSCQGWSNC-UHFFFAOYSA-N
XLogP4.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148181
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109136241
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
1-N,3-N-bis(2-methoxy-5-methylphenyl)cyclohexane-1,3-dicarboxamide
CID 60594031
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151076
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
1-acetyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxamide
CID 32858300

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109148040) is 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is COc1ccc(C)cc1NC(=O)C1CCC(C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is OBVHQLSCQGWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-8-13-22(29-3)21(14-16)26-24(28)19-11-9-18(10-12-19)23(27)25-15-20-7-5-4-6-17(20)2/h4-8,13-14,18-19H,9-12,15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).