4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide

C23H28N2O3 — CID 109148327

IUPAC4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-25(16-17-6-4-3-5-7-17)23(27)19-10-8-18(9-11-19)22(26)24-20-12-14-21(28-2)15-13-20/h3-7,12-15,18-19H,8-11,16H2,1-2H3,(H,24,26)
InChIKeyVOMKFOZFHVCJII-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.10
Rot. Bonds6

About 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109148327) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109148327
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-25(16-17-6-4-3-5-7-17)23(27)19-10-8-18(9-11-19)22(26)24-20-12-14-21(28-2)15-13-20/h3-7,12-15,18-19H,8-11,16H2,1-2H3,(H,24,26)
InChIKeyVOMKFOZFHVCJII-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
1-N,4-N-dibenzyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109147881
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742102
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792773
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
1-N-(4-ethoxyphenyl)-4-N-methyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150541
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109148327) is 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide is COc1ccc(NC(=O)C2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is VOMKFOZFHVCJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-25(16-17-6-4-3-5-7-17)23(27)19-10-8-18(9-11-19)22(26)24-20-12-14-21(28-2)15-13-20/h3-7,12-15,18-19H,8-11,16H2,1-2H3,(H,24,26).
What are the key properties of 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).