3-Methyl-N-phenylbutanimidic acid
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Basic information
- CAS
2364-50-3- Standard SMILES
CC(C)CC(=O)Nc1ccccc1- InChIKey
WQRPHHIOZYGAMQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 3-Methyl-N-phenylbutanimidic acid
- IUPAC
- 3-methyl-N-phenylbutanamide
- English name
- Isovaleranilide
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
2364-50-3DTXSID409464583-Methyl-N-phenylbutanimidic acidRefChem:1068279DTXCID1013747443-Methyl-N-phenylbutanamideIsovaleranilide2-IsopropylacetanilideButanamide, 3-methyl-N-phenyl-NSC100403-methyl-N-phenyl-butyramide3-Methyl-N-phenylbutanamide #
Show more names
N-PhenylisovaleramideIsovaleric acid anilide
SCHEMBL1353653SCHEMBL3021545SCHEMBL3021548SCHEMBL3026961SCHEMBL3175313SCHEMBL4657780NSC-10040STK390311
Database identifiers
- CAS
2364-50-3- PubChem CID
- 222941
- DTXSID
DTXSID40946458- Nikkaji
- J136.535E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
LogP2.51
Physicochemical properties
- Melting point
- 112 · 112-113℃
- Density
- 1.027 · 1.027
Related reactions
2 records
Compound notes
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