2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide

C14H16N2O — CID 113485501

IUPAC2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide
SMILESCC1(NC(=O)C(C#N)c2ccccc2)CCC1
InChIInChI=1S/C14H16N2O/c1-14(8-5-9-14)16-13(17)12(10-15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,16,17)
InChIKeyRMIDPSGMLQYPGU-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.35
Rot. Bonds3

About 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide

2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide (PubChem CID 113485501) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide
PubChem CID113485501
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide
SMILESCC1(NC(=O)C(C#N)c2ccccc2)CCC1
InChIInChI=1S/C14H16N2O/c1-14(8-5-9-14)16-13(17)12(10-15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,16,17)
InChIKeyRMIDPSGMLQYPGU-UHFFFAOYSA-N
XLogP2.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-N-(1-methylcyclopentyl)-3-phenylpropanamide
CID 80552093
2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
CID 79878391
2-amino-N-(1-methylcyclopropyl)-2-phenylacetamide
CID 115747036
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylacetamide
CID 107853090
2-cyano-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide
CID 62878936
(2R)-2-cyano-2-phenylacetic acid
CID 6999087
2-cyano-N-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 107857017
methyl 2-[(2-cyano-2-phenylacetyl)amino]-4-methylpentanoate
CID 62877206

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide (CID 113485501) is 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide is CC1(NC(=O)C(C#N)c2ccccc2)CCC1.
What is the InChIKey of 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide?
The InChIKey is RMIDPSGMLQYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-14(8-5-9-14)16-13(17)12(10-15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H,16,17).
What are the key properties of 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide?
2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide has a molecular weight of 228.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methylcyclobutyl)-2-phenylacetamide is sourced from PubChem (CID 113485501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).