3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide

C17H18N2O3 — CID 78796655

IUPAC3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(20)18-15(13-7-3-2-4-8-13)11-17(22)19-14-9-5-6-10-16(14)21/h2-10,15,21H,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyXGCHLYDRDNFGQA-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.60
Rot. Bonds5

About 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide

3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 78796655) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
PubChem CID78796655
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1O)c1ccccc1
InChIInChI=1S/C17H18N2O3/c1-12(20)18-15(13-7-3-2-4-8-13)11-17(22)19-14-9-5-6-10-16(14)21/h2-10,15,21H,11H2,1H3,(H,18,20)(H,19,22)
InChIKeyXGCHLYDRDNFGQA-UHFFFAOYSA-N
XLogP2.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.60
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

(3R)-3-acetamido-N-(2-methylphenyl)-3-phenylpropanamide
CID 2599103
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
(3S)-3-acetamido-N-(2-benzylphenyl)-3-phenylpropanamide
CID 2555292
3-acetamido-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 17401242
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
3-acetamido-N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 4792587
3-acetamido-N-(2-bromophenyl)-3-(4-methylphenyl)propanamide
CID 51194779
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide (CID 78796655) is 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1ccccc1O)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is XGCHLYDRDNFGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(20)18-15(13-7-3-2-4-8-13)11-17(22)19-14-9-5-6-10-16(14)21/h2-10,15,21H,11H2,1H3,(H,18,20)(H,19,22).
What are the key properties of 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide?
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 298.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 78796655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).