(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide

C17H16N2O2 — CID 61148013

IUPAC(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESC#Cc1cccc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1
InChIInChI=1S/C17H16N2O2/c1-2-12-4-3-5-14(10-12)19-17(21)16(18)11-13-6-8-15(20)9-7-13/h1,3-10,16,20H,11,18H2,(H,19,21)/t16-/m0/s1
InChIKeyVVHIFHYFDJMUTB-INIZCTEOSA-N
MW280.33 g/mol
LogP1.88
Rot. Bonds4

About (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 61148013) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID61148013
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESC#Cc1cccc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1
InChIInChI=1S/C17H16N2O2/c1-2-12-4-3-5-14(10-12)19-17(21)16(18)11-13-6-8-15(20)9-7-13/h1,3-10,16,20H,11,18H2,(H,19,21)/t16-/m0/s1
InChIKeyVVHIFHYFDJMUTB-INIZCTEOSA-N
XLogP1.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)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-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
2-amino-N-(3-ethynylphenyl)hexanamide
CID 60852206
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76887225

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide (CID 61148013) is (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide is C#Cc1cccc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1.
What is the InChIKey of (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VVHIFHYFDJMUTB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-12-4-3-5-14(10-12)19-17(21)16(18)11-13-6-8-15(20)9-7-13/h1,3-10,16,20H,11,18H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 280.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 61148013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).