Chemical ID: 6722118

CCC1C(=O)N(c2ccccc2O1)CC(=O)NCc3ccc(cc3)C
Chemical ID:
6722118
Name [?]:
2-(8-ethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(p-tolylmethyl)acetamide
SMILES [?]:
CCC1C(=O)N(c2ccccc2O1)CC(=O)NCc3ccc(cc3)C
InChi [?]:
InChI=1/C20H22N2O3/c1-3-17-20(24)22(16-6-4-5-7-18(16)25-17)13-19(23)21-12-15-10-8-14(2)9-11-15/h4-11,17H,3,12-13H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,9,10,8,11,21,23,20,24,18,14,22,19,7,3,12,15,4,17,6,16,5,13/E:(8,9)(10,11)/rA:25cCCCCONCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s6;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O3
All Atoms:47
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.444
Area:561.428
Solvation:-3.59173
Coulombic:-48.3758
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.4
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.0
LogP (Chemaxon):2.77

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