3-(hydroxymethyl)-N-methoxybenzamide

C9H11NO3 — CID 130675925

IUPAC3-(hydroxymethyl)-N-methoxybenzamide
SMILESCONC(=O)c1cccc(CO)c1
InChIInChI=1S/C9H11NO3/c1-13-10-9(12)8-4-2-3-7(5-8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyBZXGBABXKQQWQM-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.47
Rot. Bonds3

About 3-(hydroxymethyl)-N-methoxybenzamide

3-(hydroxymethyl)-N-methoxybenzamide (PubChem CID 130675925) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-methoxybenzamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-methoxybenzamide
PubChem CID130675925
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(hydroxymethyl)-N-methoxybenzamide
SMILESCONC(=O)c1cccc(CO)c1
InChIInChI=1S/C9H11NO3/c1-13-10-9(12)8-4-2-3-7(5-8)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyBZXGBABXKQQWQM-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-hydroxybenzoyl)-3-(hydroxymethyl)benzohydrazide
CID 46203787
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
CID 82715225
1-[3-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)propane-1,3-dione
CID 153485063
3-[2-[2-(4-fluoroanilino)pyrimidin-5-yl]ethyl]-N-methoxybenzamide
CID 90435317
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-methoxybutanamide
CID 107093408
methyl 3-hydroxy-2-[3-(hydroxymethyl)phenoxy]-3-phenylprop-2-enoate
CID 70383958
3,4-dihydroxy-N-methoxybenzamide
CID 103956380

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-methoxybenzamide?
The IUPAC name of 3-(hydroxymethyl)-N-methoxybenzamide (CID 130675925) is 3-(hydroxymethyl)-N-methoxybenzamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-methoxybenzamide?
The canonical SMILES for 3-(hydroxymethyl)-N-methoxybenzamide is CONC(=O)c1cccc(CO)c1.
What is the InChIKey of 3-(hydroxymethyl)-N-methoxybenzamide?
The InChIKey is BZXGBABXKQQWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-10-9(12)8-4-2-3-7(5-8)6-11/h2-5,11H,6H2,1H3,(H,10,12).
What are the key properties of 3-(hydroxymethyl)-N-methoxybenzamide?
3-(hydroxymethyl)-N-methoxybenzamide has a molecular weight of 181.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-methoxybenzamide is sourced from PubChem (CID 130675925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).