N-[methoxy(phenyl)methyl]acetamide

C10H13NO2 — CID 13204976

IUPACN-[methoxy(phenyl)methyl]acetamide
SMILESCOC(NC(C)=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(12)11-10(13-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,11,12)
InChIKeyGFTPMLKEKMVLGY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.47
Rot. Bonds3

About N-[methoxy(phenyl)methyl]acetamide

N-[methoxy(phenyl)methyl]acetamide (PubChem CID 13204976) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[methoxy(phenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[methoxy(phenyl)methyl]acetamide
PubChem CID13204976
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[methoxy(phenyl)methyl]acetamide
SMILESCOC(NC(C)=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-8(12)11-10(13-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,11,12)
InChIKeyGFTPMLKEKMVLGY-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[methoxy(phenyl)methyl]acetamide?
The IUPAC name of N-[methoxy(phenyl)methyl]acetamide (CID 13204976) is N-[methoxy(phenyl)methyl]acetamide.
What is the SMILES notation for N-[methoxy(phenyl)methyl]acetamide?
The canonical SMILES for N-[methoxy(phenyl)methyl]acetamide is COC(NC(C)=O)c1ccccc1.
What is the InChIKey of N-[methoxy(phenyl)methyl]acetamide?
The InChIKey is GFTPMLKEKMVLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)11-10(13-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,11,12).
What are the key properties of N-[methoxy(phenyl)methyl]acetamide?
N-[methoxy(phenyl)methyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxy(phenyl)methyl]acetamide is sourced from PubChem (CID 13204976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).