2-Methyl-N-phenylbutanamide
Basic information
- CAS
54394-78-4- Standard SMILES
CCC(C)C(=O)Nc1ccccc1- InChIKey
YQRDADVUUPKUBC-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 2-Methyl-N-phenylbutanamide
- IUPAC
- 2-methyl-N-phenylbutanamide
Names & synonyms
2-Methyl-N-phenylbutanamide54394-78-4Butanamide, 2-methyl-N-phenyl-Butyranilide, 2-methyl-DTXSID30340401RefChem:263731DTXCID10291482YQRDADVUUPKUBC-UHFFFAOYSA-NN-phenyl 2-methylbutanamideSCHEMBL4151615SCHEMBL10448971STK395737
Show more names
AKOS005434469ST50877880AI-346/36188002Z241886354
Database identifiers
- CAS
54394-78-4- PubChem CID
- 564429
- DTXSID
DTXSID30340401- Nikkaji
- J2.617.630A
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 161
Experimental & physicochemical properties
LogP2.56
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Related reactions
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Compound notes
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