Pentanamide, 2-(dimethylamino)-4-methyl-N-[3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R,4S(S),7S]]-

HCID 165366151

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Basic information

CAS: 19646-14-1
Standard SMILES: CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C)[C@@H](C(C)C)Oc2ccc(cc2)CCNC1=O
InChIKey: QZWYOXVIJAYRDX-OJJQZRKESA-N
Molecular formula: C28H46N4O4
Average molar mass: 502.7 g/mol
Monoisotopic mass: 502.35190596

Names & identifiers

Preferred name: Pentanamide, 2-(dimethylamino)-4-methyl-N-[3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(S*),7S*]]-
IUPAC: (2S)-2-(dimethylamino)-4-methyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl]pentanamide

Names & synonyms

DTXSID60109897719646-14-1Pentanamide, 2-(dimethylamino)-4-methyl-N-[3-(1-methylethyl)-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-12,14,15-trien-4-yl]-, [3R-[3R*,4S*(S*),7S*]]-

Database identifiers

CAS: 19646-14-1
PubChem CID: 165366151
DTXSID: DTXSID601098977

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 99.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 716

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