Basic information
- CAS
101030-69-7- Standard SMILES
CCCCCCC(=O)NCc1ccc(OC(C)=O)c(OC)c1- InChIKey
MHCUTVAZEAWWON-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- p-Cresol, alpha-heptanamido-2-methoxy-, acetate
- IUPAC
- [4-[(heptanoylamino)methyl]-2-methoxyphenyl] acetate
- English name
- Vanillylamine, N-heptanoyl-, acetate
- Molecular formula
- C17H25NO4
- Molecular weight
- 307.38
Names & synonyms
Vanillylamine, N-heptanoyl-, acetateN-Vanillylheptamide acetate101030-69-7p-CRESOL, alpha-HEPTANAMIDO-2-METHOXY-, ACETATEalpha-Heptanamido-2-methoxy-p-cresol acetateDTXSID30143691RefChem:367619DTXCID3066182[4-[(heptanoylamino)methyl]-2-methoxyphenyl] acetate4-(HEPTANAMIDOMETHYL)-2-METHOXYPHENYL ACETATEHeptanamide, N-[[4-(acetyloxy)-3-methoxyphenyl]methyl]-
Database identifiers
- CAS
101030-69-7- PubChem CID
- 58153
- DTXSID
DTXSID30143691- Nikkaji
- J67.713B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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