Isophthalamide, N-(1-ethyl-2-pyrrolidinylmethyl)-6-methoxy-
Basic information
- CAS
23694-34-0- Standard SMILES
CCN1CCCC1CNC(=O)c1cc(C(N)=O)ccc1OC- InChIKey
QEISATHFEZVMAA-UHFFFAOYSA-N- Molecular formula
- C16H23N3O3
- Average molar mass
- 305.37 g/mol
- Monoisotopic mass
- 305.1739416
Names & identifiers
- Preferred name
- Isophthalamide, N-(1-ethyl-2-pyrrolidinylmethyl)-6-methoxy-
- IUPAC
- 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzene-1,3-dicarboxamide
- English name
- 3-[(1-Ethyl-2-pyrrolidinyl)methylcarbamoyl]-4-methoxybenzamide
- Molecular formula
- C16H23N3O3
- Molecular weight
- 305.37
Names & synonyms
23694-34-0BRN 0427404G-297N-(1-Ethyl-2-pyrrolidinylmethyl)-6-methoxyisophthalamide1-Etil-2-(2'-metossi-5'-carbamoilbenzamidometil)-pirrolidina [Italian]ISOPHTHALAMIDE, N-(1-ETHYL-2-PYRROLIDINYLMETHYL)-6-METHOXY-1,3-Benzenedicarboxamide, N(sup 3)-((1-ethyl-2-pyrrolidinyl)methyl)-4-methoxy-1-Etil-2-(2'-metossi-5'-carbamoilbenzamidometil)-pirrolidinaRefChem:349779N1-((1-Ethylpyrrolidin-2-yl)methyl)-6-methoxyisophthalamideDTXSID009464993-[(1-Ethyl-2-pyrrolidinyl)methylcarbamoyl]-4-methoxybenzamide
Show more names
1,3-Benzenedicarboxamide, N3-[(1-ethyl-2-pyrrolidinyl)methyl]-4-methoxy-
N~3~-[(1-Ethylpyrrolidin-2-yl)methyl]-4-methoxybenzene-1,3-dicarboximidic acid
Database identifiers
- CAS
23694-34-0- PubChem CID
- 32042
- DTXSID
DTXSID00946499- Nikkaji
- J68.817G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 203 · 203-204 °C(Solvent: Ethanol)
- Boiling point
- 487.913 · 487.913±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.343 · 14.343±0.46(predicted)
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Related reactions
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Compound notes
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