4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide

C23H28N2O2 — CID 109148018

IUPAC4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-17-8-6-7-9-20(17)16-24-22(26)18-12-14-19(15-13-18)23(27)25(2)21-10-4-3-5-11-21/h3-11,18-19H,12-16H2,1-2H3,(H,24,26)
InChIKeyVKECBXJYUGKYFJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.08
Rot. Bonds5

About 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide

4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide (PubChem CID 109148018) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
PubChem CID109148018
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-17-8-6-7-9-20(17)16-24-22(26)18-12-14-19(15-13-18)23(27)25(2)21-10-4-3-5-11-21/h3-11,18-19H,12-16H2,1-2H3,(H,24,26)
InChIKeyVKECBXJYUGKYFJ-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884
4-N-methyl-1-N-(oxolan-2-ylmethyl)-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109146947
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148008
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
CID 108961721
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669
N-[(2-methylphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 42916560
4-N-benzyl-1-N-[(2-chlorophenyl)methyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148273
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide (CID 109148018) is 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide is Cc1ccccc1CNC(=O)C1CCC(C(=O)N(C)c2ccccc2)CC1.
What is the InChIKey of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
The InChIKey is VKECBXJYUGKYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-8-6-7-9-20(17)16-24-22(26)18-12-14-19(15-13-18)23(27)25(2)21-10-4-3-5-11-21/h3-11,18-19H,12-16H2,1-2H3,(H,24,26).
What are the key properties of 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide?
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).