4-methyl-N-phenylmethoxycyclohexane-1-carboxamide

C15H21NO2 — CID 79005762

IUPAC4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NOCc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-12-7-9-14(10-8-12)15(17)16-18-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,16,17)
InChIKeyVCQFNTQBLNKACX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds4

About 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide

4-methyl-N-phenylmethoxycyclohexane-1-carboxamide (PubChem CID 79005762) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
PubChem CID79005762
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NOCc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-12-7-9-14(10-8-12)15(17)16-18-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,16,17)
InChIKeyVCQFNTQBLNKACX-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
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

N-phenylmethoxy-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 142647733
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(cyclopropanecarbonylamino)acetate
CID 26878245
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
2,4,5-trimethyl-N-phenylmethoxyoxolane-3-carboxamide
CID 65155453
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
CID 87540100
benzyl 1-hydroxy-4-methylcyclohexane-1-carboxylate
CID 175022873
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
CID 101199184
4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
CID 115409857

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide (CID 79005762) is 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide is CC1CCC(C(=O)NOCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide?
The InChIKey is VCQFNTQBLNKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-7-9-14(10-8-12)15(17)16-18-11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,16,17).
What are the key properties of 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide?
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylmethoxycyclohexane-1-carboxamide is sourced from PubChem (CID 79005762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).