n,n'-Bis(3-methylbutyl)phthalamide
Basic information
- CAS
5245-87-4- Standard SMILES
CC(C)CCNC(=O)c1ccccc1C(=O)NCCC(C)C- InChIKey
KZTOETDICASPOP-UHFFFAOYSA-N- Molecular formula
- C18H28N2O2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.21507814
Names & identifiers
- Preferred name
- n,n'-Bis(3-methylbutyl)phthalamide
- IUPAC
- 1-N,2-N-bis(3-methylbutyl)benzene-1,2-dicarboxamide
Names & synonyms
n,n'-bis(3-methylbutyl)phthalamide5245-87-4CBMicro_015195Oprea1_589032N,N'-bis(3-methylbutyl)benzene-1,2-dicarboxamide1-N,2-N-bis(3-methylbutyl)benzene-1,2-dicarboxamideSCHEMBL11087644DTXSID80966877STK442716AKOS003242269BIM-0015240.P001ST50908109
Show more names
N~1~,N~2~-bis(3-methylbutyl)benzene-1,2-dicarboxamideN~1~,N~2~-Bis(3-methylbutyl)benzene-1,2-dicarboximidic acidN-(3-methylbutyl){2-[N-(3-methylbutyl)carbamoyl]phenyl}carboxamide
Database identifiers
- CAS
5245-87-4- PubChem CID
- 790286
- DTXSID
DTXSID80966877
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 319
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Related reactions
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Compound notes
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