Chemical ID: 4564870

CCCCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2(C)C
Chemical ID:
4564870
Name [?]:
None
SMILES [?]:
CCCCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2(C)C
InChi [?]:
InChI=1/C23H31N3O3/c1-4-5-12-29-13-8-11-25-15-20(27)26-19(22(25)28)14-17-16-9-6-7-10-18(16)24-21(17)23(26,2)3/h6-7,9-10,19,24H,4-5,8,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,3,21,22,7,20,23,8,4,6,17,10,19,18,24,14,11,26,15,27,25,9,13,12,16,5/E:(2,3)/rA:29cCCCCOCCCNCCONCCOCCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.5225
Area:629.257
Solvation:-4.20894
Coulombic:-53.5099
Bond Count [?]
All:32
Single:26
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.511
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):2.04

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