N-(4-Methoxy-2-methylphenyl)-acetamide

HCID 95082CAS 31601-41-9

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Basic information

Standard SMILES: COc1ccc(NC(C)=O)c(C)c1
InChIKey: AYRUKGQCGNNMLA-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: N-(4-Methoxy-2-methylphenyl)-acetamide
IUPAC: N-(4-methoxy-2-methylphenyl)acetamide
English name: N-(4-methoxy-2-methylphenyl)acetamide
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

31601-41-9N-(4-Methoxy-2-methylphenyl)acetamide4-Acetamido-3-methylanisoleAcetamide, N-(4-methoxy-2-methylphenyl)-p-Acetanisidide, 2'-methyl-3-Methyl-4-acetylaminoanisoleZ44O1G96F6EINECS 250-724-8NSC 16606NSC-16606N-(4-Methoxy-2-methylphenyl)-acetamideDTXSID4067640

Show more names

2-ACETAMIDO-5-METHOXYTOLUEN4-Methoxy-2-methylacetanilide1-(Acetylamino)-2-methyl-4-methoxybenzene

N-(2-METHYL-4-(METHYLOXY)PHENYL)ACETAMIDEN-[2-methyl-4-(methyloxy)phenyl]acetamideRefChem:827729DTXCID9038397250-724-82-ACETAMIDO-5-METHOXYTOLUENEMFCD00458126NSC16606

Database identifiers

CAS: 31601-41-9
PubChem CID: 95082
DTXSID: DTXSID4067640
ChEMBL: CHEMBL1884770
UNII: Z44O1G96F6
EC Number: 250-724-8
Nikkaji: J29.472A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 182

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Solubility>26.9 [ug/mL] (The mean of the results at pH 7.4)

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
FDA UNII: 44 O1G96F6 · Z44O1G96F6
EPA Substance Registry System: Acetamide, N-(4-methoxy-2-methylphenyl)- (31601-41-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
TSCA: TSCA listed
HS Code: 2924297099 · 2924297099