2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide

C13H15N3O — CID 79851880

IUPAC2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CC2(N)CCC2)c1
InChIInChI=1S/C13H15N3O/c14-9-10-3-1-4-11(7-10)16-12(17)8-13(15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2,(H,16,17)
InChIKeyPCMWCFKXMTZFEJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.77
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide

2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide (PubChem CID 79851880) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
PubChem CID79851880
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)CC2(N)CCC2)c1
InChIInChI=1S/C13H15N3O/c14-9-10-3-1-4-11(7-10)16-12(17)8-13(15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2,(H,16,17)
InChIKeyPCMWCFKXMTZFEJ-UHFFFAOYSA-N
XLogP1.77
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-aminocyclobutyl)methyl]-3-(3-cyanophenyl)urea
CID 103352667
1-amino-N-(3-cyanophenyl)cyclobutane-1-carboxamide
CID 81179740
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543
N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
2-(1-aminocyclohexyl)-N-(2-bromo-4-cyanophenyl)acetamide
CID 64685034
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
2-(4-aminophenyl)-N-(3-cyanophenyl)acetamide
CID 16782050
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide (CID 79851880) is 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)CC2(N)CCC2)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide?
The InChIKey is PCMWCFKXMTZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-9-10-3-1-4-11(7-10)16-12(17)8-13(15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2,(H,16,17).
What are the key properties of 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide?
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 79851880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).