6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-(4-methylphenyl)heptanamide

HCID 354544

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Basic information

CAS: 83086-03-7
Standard SMILES: Cc1ccc(NC(=O)CCCCC(C)NCC(O)c2ccc(O)c(O)c2)cc1
InChIKey: JPIVNDIQZWPZMT-UHFFFAOYSA-N
Molecular formula: C22H30N2O4
Average molar mass: 386.5 g/mol
Monoisotopic mass: 386.22055744

Names & identifiers

Preferred name: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-(4-methylphenyl)heptanamide
IUPAC: 6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-(4-methylphenyl)heptanamide

Names & synonyms

6-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]-N-(4-methylphenyl)heptanamide83086-03-76-{[2-(3,4-DIHYDROXYPHENYL)-2-HYDROXYETHYL]AMINO}-N-(4-METHYLPHENYL)HEPTANAMIDENSC372346CHEMBL1180941DTXSID40326635NSC606546NSC-372346NSC-606546

Database identifiers

CAS: 83086-03-7
PubChem CID: 354544
DTXSID: DTXSID40326635
ChEMBL: CHEMBL1180941

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 102 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 28
Formal charge: 0
Complexity: 454

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