4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

C21H25NO2 — CID 121318821

IUPAC4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO2/c1-24-20-13-11-19(12-14-20)22-21(23)18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-6,11-14,17-18H,7-10,15H2,1H3,(H,22,23)
InChIKeyHKNTWJMEJZJDGW-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.68
Rot. Bonds5

About 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide

4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 121318821) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID121318821
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25NO2/c1-24-20-13-11-19(12-14-20)22-21(23)18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-6,11-14,17-18H,7-10,15H2,1H3,(H,22,23)
InChIKeyHKNTWJMEJZJDGW-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[4-(2-phenylethoxy)phenyl]cyclopropanecarboxamide
CID 15943236
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 42693679

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 121318821) is 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is HKNTWJMEJZJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-24-20-13-11-19(12-14-20)22-21(23)18-9-7-17(8-10-18)15-16-5-3-2-4-6-16/h2-6,11-14,17-18H,7-10,15H2,1H3,(H,22,23).
What are the key properties of 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide?
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 121318821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).