(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide

C13H20N2O2 — CID 61154503

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
SMILESCCCN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-15(2)13(17)12(14)9-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8-9,14H2,1-2H3/t12-/m0/s1
InChIKeyGTBHNKCODRKGMO-LBPRGKRZSA-N
MW236.31 g/mol
LogP1.13
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide (PubChem CID 61154503) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
PubChem CID61154503
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
SMILESCCCN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-3-8-15(2)13(17)12(14)9-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8-9,14H2,1-2H3/t12-/m0/s1
InChIKeyGTBHNKCODRKGMO-LBPRGKRZSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide 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-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154334
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893468
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 76895208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide (CID 61154503) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide is CCCN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide?
The InChIKey is GTBHNKCODRKGMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-8-15(2)13(17)12(14)9-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8-9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide is sourced from PubChem (CID 61154503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).