N-phenylmethoxyacetamide

C9H11NO2 — CID 5129184

IUPACN-phenylmethoxyacetamide
SMILESCC(=O)NOCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-8(11)10-12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyHAOSPKZXSDAXEJ-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.25
Rot. Bonds3

About N-phenylmethoxyacetamide

N-phenylmethoxyacetamide (PubChem CID 5129184) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-phenylmethoxyacetamide
PubChem CID5129184
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-phenylmethoxyacetamide
SMILESCC(=O)NOCc1ccccc1
InChIInChI=1S/C9H11NO2/c1-8(11)10-12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11)
InChIKeyHAOSPKZXSDAXEJ-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyacetamide?
The IUPAC name of N-phenylmethoxyacetamide (CID 5129184) is N-phenylmethoxyacetamide.
What is the SMILES notation for N-phenylmethoxyacetamide?
The canonical SMILES for N-phenylmethoxyacetamide is CC(=O)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxyacetamide?
The InChIKey is HAOSPKZXSDAXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-8(11)10-12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,10,11).
What are the key properties of N-phenylmethoxyacetamide?
N-phenylmethoxyacetamide has a molecular weight of 165.19 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyacetamide is sourced from PubChem (CID 5129184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).