Chemical ID: 6042057

CCCCNC(=O)CCCN1c2cc(ccc2OCC1=O)C
Chemical ID:
6042057
Name [?]:
N-butyl-4-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-butanamide
SMILES [?]:
CCCCNC(=O)CCCN1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C17H24N2O3/c1-3-4-9-18-16(20)6-5-10-19-14-11-13(2)7-8-15(14)22-12-17(19)21/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,2,3,9,8,15,16,4,10,13,19,14,12,17,6,20,5,11,7,21,18/rA:22nCCCCNCOCCCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.92364
Area:544.229
Solvation:-3.6821
Coulombic:-45.4876
Bond Count [?]
All:23
Single:18
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.384
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.27
LogP (Chemaxon):1.63

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