N-acetylcolchinol O-methyl ether

HCID 97866

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Basic information

CAS: 65967-01-3
Standard SMILES: COc1ccc2c(c1)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2
InChIKey: FEPNCXXZWLXIHV-UHFFFAOYSA-N
Molecular formula: C21H25NO5
Average molar mass: 371.4 g/mol
Monoisotopic mass: 371.1732729

Overview

structure given in first source

Names & identifiers

Preferred name: N-acetylcolchinol O-methyl ether
IUPAC: N-(5,13,14,15-tetramethoxy-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)acetamide

Names & synonyms

N-Acetylcolchinol O-methyl etherRefChem:927028Colchinol, N-acetyl-, methyl etherN-Acetylcolchinol methyl etherSKF 287CHEMBL52534Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl)-, (S)-N-Acetyl colchinol methyl etherMLS002702990NSC 51046N-Acetylcolchinol, methyl ether

Show more names

N-Azetyl-colchinol-methylaether [German]NSC51046N-Azetyl-colchinol-methylaetherFEPNCXXZWLXIHV-UHFFFAOYSA-NBDBM50409021SMR001566799N-(1,2,3,9-tetramethoxy-6,7-dihydro-5H-dibenzo[[?],[?]][7]annulen-7-yl)acetamideN-(3,9,10,11-Tetramethoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-5-yl)acetamide

Database identifiers

CAS: 65967-01-3
PubChem CID: 97866
ChEMBL: CHEMBL52534

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 66 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 501

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