4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide

C17H18N2O3 — CID 30909554

IUPAC4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-18-17(22)13-6-9-14(10-7-13)19-16(21)11-8-12-4-2-3-5-15(12)20/h2-7,9-10,20H,8,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNTJBZKARHAWZBF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.32
Rot. Bonds5

About 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide

4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide (PubChem CID 30909554) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide
PubChem CID30909554
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2ccccc2O)cc1
InChIInChI=1S/C17H18N2O3/c1-18-17(22)13-6-9-14(10-7-13)19-16(21)11-8-12-4-2-3-5-15(12)20/h2-7,9-10,20H,8,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyNTJBZKARHAWZBF-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyphenyl)-N-(4-iodophenyl)propanamide
CID 29404443
3-(2-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 42370206
N-methyl-4-[(4-oxo-4-phenylbutanoyl)amino]benzamide
CID 9164611
N-methyl-4-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 8700251
4-[3-(2-chlorophenyl)propanoylamino]-N-(1-phenylethyl)benzamide
CID 43887660
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
methyl 3-[[4-[3-(2-fluorophenyl)propanoylamino]benzoyl]amino]propanoate
CID 86917315
4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
CID 17437803
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide (CID 30909554) is 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCc2ccccc2O)cc1.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is NTJBZKARHAWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-17(22)13-6-9-14(10-7-13)19-16(21)11-8-12-4-2-3-5-15(12)20/h2-7,9-10,20H,8,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide?
4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 30909554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).