N-benzyl-N-methylacetamide

C10H13NO — CID 4578210

IUPACN-benzyl-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(12)11(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyNQXVNLHPEJBZAT-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.66
Rot. Bonds2

About N-benzyl-N-methylacetamide

N-benzyl-N-methylacetamide (PubChem CID 4578210) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-benzyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-N-methylacetamide
PubChem CID4578210
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-benzyl-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(12)11(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyNQXVNLHPEJBZAT-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylacetamide?
The IUPAC name of N-benzyl-N-methylacetamide (CID 4578210) is N-benzyl-N-methylacetamide.
What is the SMILES notation for N-benzyl-N-methylacetamide?
The canonical SMILES for N-benzyl-N-methylacetamide is CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylacetamide?
The InChIKey is NQXVNLHPEJBZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(12)11(2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-benzyl-N-methylacetamide?
N-benzyl-N-methylacetamide has a molecular weight of 163.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylacetamide is sourced from PubChem (CID 4578210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).