(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide

C17H29N3O — CID 61274682

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
SMILESCC(C)CC(CNC(=O)[C@@H](N)Cc1ccccc1)N(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)10-15(20(3)4)12-19-17(21)16(18)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21)/t15?,16-/m0/s1
InChIKeySCDLUZOVTNLYRH-LYKKTTPLSA-N
MW291.44 g/mol
LogP1.65
Rot. Bonds8

About (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide

(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide (PubChem CID 61274682) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
PubChem CID61274682
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
SMILESCC(C)CC(CNC(=O)[C@@H](N)Cc1ccccc1)N(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)10-15(20(3)4)12-19-17(21)16(18)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21)/t15?,16-/m0/s1
InChIKeySCDLUZOVTNLYRH-LYKKTTPLSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide 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

2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
N-[2-(dimethylamino)-3-phenylpropyl]-2-methylbutanamide
CID 51075787
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
3-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide;dihydrochloride
CID 119952947
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide (CID 61274682) is (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide is CC(C)CC(CNC(=O)[C@@H](N)Cc1ccccc1)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide?
The InChIKey is SCDLUZOVTNLYRH-LYKKTTPLSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)10-15(20(3)4)12-19-17(21)16(18)11-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12,18H2,1-4H3,(H,19,21)/t15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide?
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide is sourced from PubChem (CID 61274682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).