Chemical ID: 6045073

CCCCn1c2ccoc2cc1C(=O)N(C)CCc3ccc(c(c3)OC)OC
Chemical ID:
6045073
Name [?]:
8-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxa-8-azabicyclo[3.3.0]octa-2,6,9-triene-7-carboxamide
SMILES [?]:
CCCCn1c2ccoc2cc1C(=O)N(C)CCc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C22H28N2O4/c1-5-6-11-24-17-10-13-28-20(17)15-18(24)22(25)23(2)12-9-16-7-8-19(26-3)21(14-16)27-4/h7-8,10,13-15H,5-6,9,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,28,26,2,3,20,21,18,7,4,17,8,24,11,19,6,12,22,10,23,13,15,5,14,27,25,9/rA:28nCCCCNCCCOCCCCONCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d6s9;s10;s5d11;s12;d13;s13;s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.39329
Area:632.329
Solvation:-6.41493
Coulombic:-46.1226
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:384.469
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.84
LogP (Chemaxon):3.91

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Descriptor Annotations

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