Basic information
- CAS
139564-01-5- Standard SMILES
COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1- InChIKey
HSOHROOUHRUSJR-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- N-(2-(5-methoxy-1H-indol-3-yl)ethyl)cyclopropanecarboxamide
- IUPAC
- N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
- English name
- N-[2-(5-methoxyindol-3-yl)ethyl]-cyclopropylcarboxamide
- Molecular formula
- C15H18N2O2
- Molecular weight
- 258.32
Names & synonyms
139564-01-5N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclopropanecarboxamideN-(2-(5-Methoxy-1H-indol-3-yl)ethyl)cyclopropanecarboxamideDTXSID10274391RefChem:1090938DTXCID802258705-methoxy-n-cyclopropanoyltryptamineCHEMBL37549HSOHROOUHRUSJR-UHFFFAOYSA-NCyclopropanecarboxamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-Oprea1_112586Oprea1_219984
Show more names
N-[2-(5-methoxyindol-3-yl)ethyl]-cyclopropylcarboxamide
CBDivE_000390SCHEMBL4759323HMS1613L03N-cyclopropanoyl-5-methoxytryptamineBDBM50230659STK055251AKOS000623667CCG-112224
Database identifiers
- CAS
139564-01-5- PubChem CID
- 2877
- DTXSID
DTXSID10274391- ChEMBL
CHEMBL37549- Nikkaji
- J481.045G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 548.8 · 548.8±38.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 16.01 · 16.01±0.20(Predicted)
Chemistry & industry
Suppliers3 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
1 records
Compound notes
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