N-[(3-methoxyphenyl)methyl]acetamide

C10H13NO2 — CID 10821217

IUPACN-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(C)=O)c1
InChIInChI=1S/C10H13NO2/c1-8(12)11-7-9-4-3-5-10(6-9)13-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyQISBKEXGALSAAL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds3

About N-[(3-methoxyphenyl)methyl]acetamide

N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 10821217) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]acetamide
PubChem CID10821217
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(C)=O)c1
InChIInChI=1S/C10H13NO2/c1-8(12)11-7-9-4-3-5-10(6-9)13-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKeyQISBKEXGALSAAL-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]acetamide (CID 10821217) is N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(C)=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is QISBKEXGALSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)11-7-9-4-3-5-10(6-9)13-2/h3-6H,7H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-methoxyphenyl)methyl]acetamide?
N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 10821217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).