1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide

C16H20N2O2 — CID 61461787

IUPAC1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N(C)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C16H20N2O2/c1-18(13-8-4-5-9-14(13)20-2)15(19)16(12-17)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyIITMZUKKQBPNGD-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.13
Rot. Bonds3

About 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide

1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 61461787) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
PubChem CID61461787
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccccc1N(C)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C16H20N2O2/c1-18(13-8-4-5-9-14(13)20-2)15(19)16(12-17)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3
InChIKeyIITMZUKKQBPNGD-UHFFFAOYSA-N
XLogP3.13
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
1-cyano-N-(2,5-difluoro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115181527
N-(3-bromo-4-methoxyphenyl)-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183261
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 80596960
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
N-(2-methoxyphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975064
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
3-cyano-N-(2-fluorophenyl)-N-methyloxetane-3-carboxamide
CID 115184666
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835053

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide (CID 61461787) is 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide is COc1ccccc1N(C)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is IITMZUKKQBPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(13-8-4-5-9-14(13)20-2)15(19)16(12-17)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide?
1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 61461787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).