N-(hydroxymethyl)-2-phenoxyacetamide

C9H11NO3 — CID 12769641

IUPACN-(hydroxymethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCO
InChIInChI=1S/C9H11NO3/c11-7-10-9(12)6-13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
InChIKeyZOTMCWBEWRSNOL-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds4

About N-(hydroxymethyl)-2-phenoxyacetamide

N-(hydroxymethyl)-2-phenoxyacetamide (PubChem CID 12769641) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(hydroxymethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-2-phenoxyacetamide
PubChem CID12769641
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC NameN-(hydroxymethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCO
InChIInChI=1S/C9H11NO3/c11-7-10-9(12)6-13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
InChIKeyZOTMCWBEWRSNOL-UHFFFAOYSA-N
XLogP0.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
CID 61126897
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139
ethane-1,2-diol;2-phenoxyacetic acid
CID 86738206
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-(2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 46665237
2-phenoxyacetic acid;titanium
CID 174896747
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
CID 58879695
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-2-phenoxyacetamide?
The IUPAC name of N-(hydroxymethyl)-2-phenoxyacetamide (CID 12769641) is N-(hydroxymethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(hydroxymethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(hydroxymethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCO.
What is the InChIKey of N-(hydroxymethyl)-2-phenoxyacetamide?
The InChIKey is ZOTMCWBEWRSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-7-10-9(12)6-13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12).
What are the key properties of N-(hydroxymethyl)-2-phenoxyacetamide?
N-(hydroxymethyl)-2-phenoxyacetamide has a molecular weight of 181.19 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-2-phenoxyacetamide is sourced from PubChem (CID 12769641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).