(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide

C15H24N2O — CID 119322585

IUPAC(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
SMILESCC(C)c1ccc(CCCNC(=O)[C@H](C)N)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)14-8-6-13(7-9-14)5-4-10-17-15(18)12(3)16/h6-9,11-12H,4-5,10,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyODOYEMBGERAECT-LBPRGKRZSA-N
MW248.37 g/mol
LogP2.21
Rot. Bonds6

About (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide

(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide (PubChem CID 119322585) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
PubChem CID119322585
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
SMILESCC(C)c1ccc(CCCNC(=O)[C@H](C)N)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)14-8-6-13(7-9-14)5-4-10-17-15(18)12(3)16/h6-9,11-12H,4-5,10,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyODOYEMBGERAECT-LBPRGKRZSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide 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

(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 119781845
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
(2S)-2-amino-4-methylsulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119322592
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
(2R)-2-(4-chlorophenyl)sulfanyl-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 99999958
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
N-[3-(4-propan-2-ylphenyl)propyl]azetidine-2-carboxamide
CID 131951887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide (CID 119322585) is (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide is CC(C)c1ccc(CCCNC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide?
The InChIKey is ODOYEMBGERAECT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)14-8-6-13(7-9-14)5-4-10-17-15(18)12(3)16/h6-9,11-12H,4-5,10,16H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide?
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide is sourced from PubChem (CID 119322585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).