4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide

C15H19N3O — CID 64906287

IUPAC4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide
SMILESN#CC1(c2ccccc2)CC(NCCCC(N)=O)C1
InChIInChI=1S/C15H19N3O/c16-11-15(12-5-2-1-3-6-12)9-13(10-15)18-8-4-7-14(17)19/h1-3,5-6,13,18H,4,7-10H2,(H2,17,19)
InChIKeyFRAGLBIHIKIGQX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.47
Rot. Bonds6

About 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide

4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide (PubChem CID 64906287) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide
PubChem CID64906287
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide
SMILESN#CC1(c2ccccc2)CC(NCCCC(N)=O)C1
InChIInChI=1S/C15H19N3O/c16-11-15(12-5-2-1-3-6-12)9-13(10-15)18-8-4-7-14(17)19/h1-3,5-6,13,18H,4,7-10H2,(H2,17,19)
InChIKeyFRAGLBIHIKIGQX-UHFFFAOYSA-N
XLogP1.47
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide?
The IUPAC name of 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide (CID 64906287) is 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide.
What is the SMILES notation for 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide?
The canonical SMILES for 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide is N#CC1(c2ccccc2)CC(NCCCC(N)=O)C1.
What is the InChIKey of 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide?
The InChIKey is FRAGLBIHIKIGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-15(12-5-2-1-3-6-12)9-13(10-15)18-8-4-7-14(17)19/h1-3,5-6,13,18H,4,7-10H2,(H2,17,19).
What are the key properties of 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide?
4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide has a molecular weight of 257.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide is sourced from PubChem (CID 64906287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).