N-benzyl-2-methoxyacetamide

C10H13NO2 — CID 836024

IUPACN-benzyl-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyVLAPGEODGZEQPC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.95
Rot. Bonds4

About N-benzyl-2-methoxyacetamide

N-benzyl-2-methoxyacetamide (PubChem CID 836024) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-benzyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-methoxyacetamide
PubChem CID836024
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-benzyl-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyVLAPGEODGZEQPC-UHFFFAOYSA-N
XLogP0.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxyacetamide?
The IUPAC name of N-benzyl-2-methoxyacetamide (CID 836024) is N-benzyl-2-methoxyacetamide.
What is the SMILES notation for N-benzyl-2-methoxyacetamide?
The canonical SMILES for N-benzyl-2-methoxyacetamide is COCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxyacetamide?
The InChIKey is VLAPGEODGZEQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of N-benzyl-2-methoxyacetamide?
N-benzyl-2-methoxyacetamide has a molecular weight of 179.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxyacetamide is sourced from PubChem (CID 836024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).