4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide

C21H25NO2 — CID 143807833

IUPAC4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
SMILESCC1CCCC(c2ccc(C(=O)NOCc3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO2/c1-16-6-5-9-20(14-16)18-10-12-19(13-11-18)21(23)22-24-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20H,5-6,9,14-15H2,1H3,(H,22,23)
InChIKeyOITYNKZVYQFAHF-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.84
Rot. Bonds5

About 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide

4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide (PubChem CID 143807833) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
PubChem CID143807833
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide
SMILESCC1CCCC(c2ccc(C(=O)NOCc3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO2/c1-16-6-5-9-20(14-16)18-10-12-19(13-11-18)21(23)22-24-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20H,5-6,9,14-15H2,1H3,(H,22,23)
InChIKeyOITYNKZVYQFAHF-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylcyclohexyl)benzamide
CID 54069897
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-phenylmethoxybenzamide
CID 9227332
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
4-bromo-N-phenylmethoxybenzamide
CID 41450559
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
1-(4-methoxyphenyl)-2-[4-(phenylmethoxycarbamoyl)phenyl]cyclohexane-1-carboxylic acid
CID 87738212
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
1-(3-methylcyclohexyl)-3-phenylmethoxybenzene
CID 174634961

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide?
The IUPAC name of 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide (CID 143807833) is 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide?
The canonical SMILES for 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide is CC1CCCC(c2ccc(C(=O)NOCc3ccccc3)cc2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide?
The InChIKey is OITYNKZVYQFAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-6-5-9-20(14-16)18-10-12-19(13-11-18)21(23)22-24-15-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,20H,5-6,9,14-15H2,1H3,(H,22,23).
What are the key properties of 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide?
4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide has a molecular weight of 323.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)-N-phenylmethoxybenzamide is sourced from PubChem (CID 143807833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).