4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide

C17H19NO2 — CID 103951860

IUPAC4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-14(10-12)8-9-18-17(20)15-6-7-16(19)13(2)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyKWTNYZRAIVFMHE-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.98
Rot. Bonds4

About 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide

4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide (PubChem CID 103951860) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
PubChem CID103951860
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc(CCNC(=O)c2ccc(O)c(C)c2)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-14(10-12)8-9-18-17(20)15-6-7-16(19)13(2)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyKWTNYZRAIVFMHE-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
3-(chloromethyl)-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62314649
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
N-[2-(2-fluorophenyl)ethyl]-4-hydroxy-3-methylbenzamide
CID 103951657
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
6-amino-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62313054
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
2-ethoxy-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 86967702

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide (CID 103951860) is 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide is Cc1cccc(CCNC(=O)c2ccc(O)c(C)c2)c1.
What is the InChIKey of 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide?
The InChIKey is KWTNYZRAIVFMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-3-5-14(10-12)8-9-18-17(20)15-6-7-16(19)13(2)11-15/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20).
What are the key properties of 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide?
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide has a molecular weight of 269.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 103951860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).