3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide

C16H17NO3 — CID 110009743

IUPAC3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(O)c1NC(=O)CC(O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-6-5-9-13(18)16(11)17-15(20)10-14(19)12-7-3-2-4-8-12/h2-9,14,18-19H,10H2,1H3,(H,17,20)
InChIKeyYRFKHTDHLWAXGZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds4

About 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide

3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide (PubChem CID 110009743) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
PubChem CID110009743
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(O)c1NC(=O)CC(O)c1ccccc1
InChIInChI=1S/C16H17NO3/c1-11-6-5-9-13(18)16(11)17-15(20)10-14(19)12-7-3-2-4-8-12/h2-9,14,18-19H,10H2,1H3,(H,17,20)
InChIKeyYRFKHTDHLWAXGZ-UHFFFAOYSA-N
XLogP2.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylpropanamide
CID 110883081
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
(2R)-2-(dimethylamino)-4-(2,6-dimethylanilino)-4-oxobutanoic acid
CID 748979
ethane;N-ethyl-3-hydroxy-3-phenylpropanamide
CID 143411629
3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
CID 154754567
N-(2,6-dimethylphenyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 110012993
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 94822914
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide (CID 110009743) is 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide is Cc1cccc(O)c1NC(=O)CC(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide?
The InChIKey is YRFKHTDHLWAXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-5-9-13(18)16(11)17-15(20)10-14(19)12-7-3-2-4-8-12/h2-9,14,18-19H,10H2,1H3,(H,17,20).
What are the key properties of 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide?
3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide has a molecular weight of 271.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 110009743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).