Chemical ID: 6041891

CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CC3
Chemical ID:
6041891
Name [?]:
N-cyclopropyl-4-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-butanamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CC3
InChi [?]:
InChI=1/C19H26N2O3/c1-19(2,3)13-6-9-16-15(11-13)21(18(23)12-24-16)10-4-5-17(22)20-14-7-8-14/h6,9,11,14H,4-5,7-8,10,12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,6,23,24,7,16,10,14,5,22,9,8,19,12,2,21,11,20,13,15/E:(1,2,3)(7,8)/rA:24nCCCCCCCCCCNCOCOCCCCONCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;s17;s18;d19;s19;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.2833
Area:564.962
Solvation:-3.84074
Coulombic:-45.3332
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:330.421
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.84
LogP (Chemaxon):1.98

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