(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide

C15H24N2O2 — CID 104983951

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCO)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(2)17(10-11-18)15(19)14(16)9-8-13-6-4-3-5-7-13/h3-7,12,14,18H,8-11,16H2,1-2H3/t14-/m0/s1
InChIKeyVLLAWIMVLWKLLE-AWEZNQCLSA-N
MW264.37 g/mol
LogP1.18
Rot. Bonds7

About (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide

(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide (PubChem CID 104983951) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
PubChem CID104983951
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
SMILESCC(C)N(CCO)C(=O)[C@@H](N)CCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(2)17(10-11-18)15(19)14(16)9-8-13-6-4-3-5-7-13/h3-7,12,14,18H,8-11,16H2,1-2H3/t14-/m0/s1
InChIKeyVLLAWIMVLWKLLE-AWEZNQCLSA-N
XLogP1.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide 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

(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
2-amino-N-pentyl-4-phenyl-N-propan-2-ylbutanamide
CID 114926657
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-phenylbutanamide
CID 103188646
(2S)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-phenylbutanamide
CID 104984805
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 61156291
(2R)-2,5-diamino-N-(2-hydroxyethyl)-N-(2-phenylethyl)pentanamide
CID 57272495
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
N-(2-hydroxyethyl)-2-(2-phenylethylsulfanyl)-N-propan-2-ylacetamide
CID 43572938
2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
CID 62474789
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
CID 114928129

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide (CID 104983951) is (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide is CC(C)N(CCO)C(=O)[C@@H](N)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide?
The InChIKey is VLLAWIMVLWKLLE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)17(10-11-18)15(19)14(16)9-8-13-6-4-3-5-7-13/h3-7,12,14,18H,8-11,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.18, 7 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-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 104983951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).