N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide

C16H24N2O — CID 131951887

IUPACN-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)C2CCN2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)4-3-10-18-16(19)15-9-11-17-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyRPUMSYHGRVILMM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.22
Rot. Bonds6

About N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide

N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide (PubChem CID 131951887) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
PubChem CID131951887
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)C2CCN2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)4-3-10-18-16(19)15-9-11-17-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyRPUMSYHGRVILMM-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(4-propan-2-ylphenyl)propyl]piperidine-3-carboxamide
CID 119322605
4-[3-(4-propan-2-ylphenyl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673587
N-[3-(4-propan-2-ylphenyl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 131930368
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
N-[2-(4-cyanophenyl)ethyl]azetidine-2-carboxamide
CID 145433441
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide?
The IUPAC name of N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide (CID 131951887) is N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide?
The canonical SMILES for N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide is CC(C)c1ccc(CCCNC(=O)C2CCN2)cc1.
What is the InChIKey of N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide?
The InChIKey is RPUMSYHGRVILMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)14-7-5-13(6-8-14)4-3-10-18-16(19)15-9-11-17-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide?
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide is sourced from PubChem (CID 131951887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).