4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide

C17H18N2O3 — CID 14842756

IUPAC4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2CO)cc1
InChIInChI=1S/C17H18N2O3/c1-11-4-3-5-14(10-20)16(11)19-17(22)13-6-8-15(9-7-13)18-12(2)21/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVKNSOZKTJQNURF-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.70
Rot. Bonds4

About 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide

4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide (PubChem CID 14842756) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
PubChem CID14842756
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2CO)cc1
InChIInChI=1S/C17H18N2O3/c1-11-4-3-5-14(10-20)16(11)19-17(22)13-6-8-15(9-7-13)18-12(2)21/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyVKNSOZKTJQNURF-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide (CID 14842756) is 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2c(C)cccc2CO)cc1.
What is the InChIKey of 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
The InChIKey is VKNSOZKTJQNURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-4-3-5-14(10-20)16(11)19-17(22)13-6-8-15(9-7-13)18-12(2)21/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide?
4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(hydroxymethyl)-6-methylphenyl]benzamide is sourced from PubChem (CID 14842756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).