N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide

C12H15NO3 — CID 91715642

IUPACN-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(C(C)=O)C(C)=O
InChIInChI=1S/C12H15NO3/c1-9(14)13(10(2)15)8-11-6-4-5-7-12(11)16-3/h4-7H,8H2,1-3H3
InChIKeyJVFDDOWVIKZYFS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.59
Rot. Bonds3

About N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide

N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 91715642) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID91715642
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(C(C)=O)C(C)=O
InChIInChI=1S/C12H15NO3/c1-9(14)13(10(2)15)8-11-6-4-5-7-12(11)16-3/h4-7H,8H2,1-3H3
InChIKeyJVFDDOWVIKZYFS-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105
1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
CID 113233571
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 62735211
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115882414
2-[butan-2-yl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 60833584
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 91715642) is N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CN(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is JVFDDOWVIKZYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9(14)13(10(2)15)8-11-6-4-5-7-12(11)16-3/h4-7H,8H2,1-3H3.
What are the key properties of N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide?
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 91715642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).