4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide

C17H17NO3 — CID 86610237

IUPAC4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide
SMILESCNC(=O)c1ccc(OC)cc1C(C=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18-17(20)14-9-8-13(21-2)10-15(14)16(11-19)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,18,20)
InChIKeyPAZVLEWOAISWQY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.39
Rot. Bonds5

About 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide

4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide (PubChem CID 86610237) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide
PubChem CID86610237
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide
SMILESCNC(=O)c1ccc(OC)cc1C(C=O)c1ccccc1
InChIInChI=1S/C17H17NO3/c1-18-17(20)14-9-8-13(21-2)10-15(14)16(11-19)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,18,20)
InChIKeyPAZVLEWOAISWQY-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-5-methoxyphenyl)-2-phenylacetaldehyde
CID 159871714
2-anilino-4-methoxy-N-methylbenzamide
CID 66646224
2-formyl-N-methyl-4-phenoxybenzamide
CID 141490804
3-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-3-oxopropanal
CID 123189211
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
(2R)-2-amino-1-(2,4-dimethoxyphenyl)-2-phenylethanone
CID 104890975
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
3-(2-fluoro-4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 102883259
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336
2-chloro-2-(3-methoxyphenyl)-N-methylacetamide
CID 10036152

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide (CID 86610237) is 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide is CNC(=O)c1ccc(OC)cc1C(C=O)c1ccccc1.
What is the InChIKey of 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide?
The InChIKey is PAZVLEWOAISWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-17(20)14-9-8-13(21-2)10-15(14)16(11-19)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,18,20).
What are the key properties of 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide?
4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-2-(2-oxo-1-phenylethyl)benzamide is sourced from PubChem (CID 86610237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).