Chemical ID: 6041984

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C(C)C
Chemical ID:
6041984
Name [?]:
N-(1,2-dimethylpropyl)-2-[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]-acetamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NC(C)C(C)C
InChi [?]:
InChI=1/C20H30N2O3/c1-7-20(5,6)15-8-9-17-16(10-15)22(19(24)12-25-17)11-18(23)21-14(4)13(2)3/h8-10,13-14H,7,11-12H2,1-6H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,22,4,5,2,7,8,11,17,15,23,21,6,10,9,18,13,3,20,12,19,14,16/E:(2,3)(5,6)/rA:25cCCCCCCCCCCCNCOCOCCONCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s18;s20;s21;s21;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H30N2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.2051
Area:569.554
Solvation:-4.03378
Coulombic:-46.8389
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.464
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.89
LogP (Chemaxon):3.17

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