Chemical ID: 6807078

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCCC(C3C)C
Chemical ID:
6807078
Name [?]:
N-(2,3-dimethylcyclohexyl)-4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCCC(C3C)C
InChi [?]:
InChI=1/C21H30N2O3/c1-14-9-10-19-18(12-14)23(21(25)13-26-19)11-5-8-20(24)22-17-7-4-6-15(2)16(17)3/h9-10,12,15-17H,4-8,11,13H2,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,21,14,22,20,15,3,4,13,7,11,2,23,24,19,6,5,16,9,18,8,17,10,12/rA:26cCCCCCCCNCOCOCCCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N2O3
All Atoms:56
Heavy Atoms:26
Chiral Atoms:3
ZAP Information [?]
Total:11.0595
Area:593.716
Solvation:-3.78336
Coulombic:-46.0724
Bond Count [?]
All:28
Single:23
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:358.475
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):2.74

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