N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide

C17H17NO4 — CID 23354625

IUPACN-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(C)=O)c2O)cc1
InChIInChI=1S/C17H17NO4/c1-11(19)14-4-3-5-15(17(14)21)18-16(20)10-12-6-8-13(22-2)9-7-12/h3-9,21H,10H2,1-2H3,(H,18,20)
InChIKeyKFZVNNBCTMGFHX-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.78
Rot. Bonds5

About N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide

N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 23354625) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID23354625
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C(C)=O)c2O)cc1
InChIInChI=1S/C17H17NO4/c1-11(19)14-4-3-5-15(17(14)21)18-16(20)10-12-6-8-13(22-2)9-7-12/h3-9,21H,10H2,1-2H3,(H,18,20)
InChIKeyKFZVNNBCTMGFHX-UHFFFAOYSA-N
XLogP2.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
5-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]benzoic acid
CID 578470
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
N-(2-tert-butylphenyl)-2-(4-methoxyphenyl)acetamide
CID 890877
N-[2-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
CID 113093771
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
2-(4-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
CID 8718997
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2-(4-methoxyphenyl)acetate
CID 8011578
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide (CID 23354625) is N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2O)cc1.
What is the InChIKey of N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is KFZVNNBCTMGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(19)14-4-3-5-15(17(14)21)18-16(20)10-12-6-8-13(22-2)9-7-12/h3-9,21H,10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide?
N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23354625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).