N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide

C16H23NO3 — CID 86642923

IUPACN-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-17(19-2)16(18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeySOZGKGCCZJHXME-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.78
Rot. Bonds5

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

N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide (PubChem CID 86642923) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
PubChem CID86642923
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H23NO3/c1-17(19-2)16(18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKeySOZGKGCCZJHXME-UHFFFAOYSA-N
XLogP2.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
(4-phenylmethoxycyclohexyl) 4-methylcyclohexane-1-carboxylate
CID 144529311
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
1-(4-phenylmethoxycyclohexyl)butan-2-one
CID 91074255
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
4-(4-phenylmethoxycyclohexyl)butan-2-one
CID 67412875
(2S,4R)-N,N-dimethyl-4-phenylmethoxypyrrolidine-2-carboxamide
CID 25179151
9-benzyl-N-methoxy-N-methyl-9-azabicyclo[3.3.1]nonane-3-carboxamide
CID 171950969
N-[(2R)-1-fluoro-3-(4-phenylmethoxycyclohexyl)oxypropan-2-yl]-N-methylacetamide
CID 138474170
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide (CID 86642923) is N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(OCc2ccccc2)CC1.
What is the InChIKey of N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide?
The InChIKey is SOZGKGCCZJHXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(19-2)16(18)14-8-10-15(11-9-14)20-12-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide?
N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-phenylmethoxycyclohexane-1-carboxamide is sourced from PubChem (CID 86642923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).