Chemical ID: 6041892

CCCCCCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(C)(C)C
Chemical ID:
6041892
Name [?]:
N-hexyl-4-(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCCCCCNC(=O)CCCN1c2cc(ccc2OCC1=O)C(C)(C)C
InChi [?]:
InChI=1/C22H34N2O3/c1-5-6-7-8-13-23-20(25)10-9-14-24-18-15-17(22(2,3)4)11-12-19(18)27-16-21(24)26/h11-12,15H,5-10,13-14,16H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,2,3,4,5,11,10,17,18,6,12,15,21,16,14,19,8,22,24,7,13,9,23,20/E:(2,3,4)/rA:27nCCCCCCNCOCCCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H34N2O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5918
Area:650.114
Solvation:-3.66102
Coulombic:-46.9914
Bond Count [?]
All:28
Single:23
Double:5
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.517
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.79
LogP (Chemaxon):3.58

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue