Chemical ID: 6721824

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCC(CC3)C
Chemical ID:
6721824
Name [?]:
N-(4-methylcyclohexyl)-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)NC3CCC(CC3)C
InChi [?]:
InChI=1/C20H28N2O3/c1-14-5-8-16(9-6-14)21-19(23)4-3-11-22-17-12-15(2)7-10-18(17)25-13-20(22)24/h7,10,12,14,16H,3-6,8-9,11,13H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:25,1,14,15,21,23,3,20,24,4,13,7,11,22,2,19,6,5,16,9,18,8,17,10,12/E:(5,6)(8,9)/rA:25nCCCCCCCNCOCOCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N2O3
All Atoms:53
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6627
Area:578.404
Solvation:-3.79738
Coulombic:-45.7086
Bond Count [?]
All:27
Single:22
Double:5
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.448
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):2.34

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