4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide

C13H19NO3 — CID 79203204

IUPAC4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
SMILESCC(O)CCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(16)7-8-13(17)14-12(9-15)11-5-3-2-4-6-11/h2-6,10,12,15-16H,7-9H2,1H3,(H,14,17)
InChIKeyWDTMUHQHEXJYBS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.00
Rot. Bonds6

About 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide

4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide (PubChem CID 79203204) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
PubChem CID79203204
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
SMILESCC(O)CCC(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(16)7-8-13(17)14-12(9-15)11-5-3-2-4-6-11/h2-6,10,12,15-16H,7-9H2,1H3,(H,14,17)
InChIKeyWDTMUHQHEXJYBS-UHFFFAOYSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide 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

4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
6-amino-4-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]hexanamide
CID 107863213
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
4-(2-aminoethyl)-N-[(1S)-2-hydroxy-1-phenylethyl]heptanamide
CID 107862900
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
5-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 107862734
N-[(1R)-2-hydroxy-1-phenylethyl]pent-4-enamide
CID 67310926
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide (CID 79203204) is 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide is CC(O)CCC(=O)NC(CO)c1ccccc1.
What is the InChIKey of 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide?
The InChIKey is WDTMUHQHEXJYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(16)7-8-13(17)14-12(9-15)11-5-3-2-4-6-11/h2-6,10,12,15-16H,7-9H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide?
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide is sourced from PubChem (CID 79203204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).