1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide

C15H18N2O — CID 80501020

IUPAC1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H18N2O/c1-12-9-15(10-12,11-16)14(18)17-8-7-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,17,18)
InChIKeyHSXUEZHUDMXMHX-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.29
Rot. Bonds4

About 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide

1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide (PubChem CID 80501020) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
PubChem CID80501020
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCc2ccccc2)C1
InChIInChI=1S/C15H18N2O/c1-12-9-15(10-12,11-16)14(18)17-8-7-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,17,18)
InChIKeyHSXUEZHUDMXMHX-UHFFFAOYSA-N
XLogP2.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 80593200
N-benzyl-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80500969
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
N-benzyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80501320
N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1-cyano-3-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80501128
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
3-cyano-N-(2-pyridin-3-ylethyl)oxetane-3-carboxamide
CID 115184826
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
1-cyano-N-[(5-ethylthiophen-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 103752414
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide (CID 80501020) is 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCc2ccccc2)C1.
What is the InChIKey of 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide?
The InChIKey is HSXUEZHUDMXMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-9-15(10-12,11-16)14(18)17-8-7-13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,17,18).
What are the key properties of 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide?
1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80501020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).