1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide

C14H16N2O2 — CID 80501151

IUPAC1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(C#N)CC(C)C2)c1
InChIInChI=1S/C14H16N2O2/c1-10-7-14(8-10,9-15)13(17)16-11-4-3-5-12(6-11)18-2/h3-6,10H,7-8H2,1-2H3,(H,16,17)
InChIKeyNGYWGCFFXNURRO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.57
Rot. Bonds3

About 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide

1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80501151) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80501151
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(C#N)CC(C)C2)c1
InChIInChI=1S/C14H16N2O2/c1-10-7-14(8-10,9-15)13(17)16-11-4-3-5-12(6-11)18-2/h3-6,10H,7-8H2,1-2H3,(H,16,17)
InChIKeyNGYWGCFFXNURRO-UHFFFAOYSA-N
XLogP2.57
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(4-fluoro-3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide
CID 114839825
1-(1-cyano-4-methylcyclohexyl)-3-(3-methoxyphenyl)urea
CID 61310955
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-cyano-3-methyl-N-quinolin-3-ylcyclobutane-1-carboxamide
CID 80502360
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
1-cyano-3-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80501128
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide (CID 80501151) is 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide is COc1cccc(NC(=O)C2(C#N)CC(C)C2)c1.
What is the InChIKey of 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is NGYWGCFFXNURRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-7-14(8-10,9-15)13(17)16-11-4-3-5-12(6-11)18-2/h3-6,10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide?
1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-methoxyphenyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80501151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).