Chemical ID: 6127902

CCn1cc(c2c1cccc2)CCC(C)NC(=O)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
6127902
Name [?]:
N-[3-(1-ethylindol-3-yl)-1-methyl-propyl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
CCn1cc(c2c1cccc2)CCC(C)NC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C24H30N2O4/c1-6-26-15-17(19-9-7-8-10-20(19)26)12-11-16(2)25-24(27)18-13-21(28-3)23(30-5)22(14-18)29-4/h7-10,13-16H,6,11-12H2,1-5H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,15,26,30,28,2,10,9,11,8,13,12,24,20,4,14,5,19,6,7,23,21,22,17,16,3,18,25,29,27/E:(3,4)(13,14)(21,22)(28,29)/rA:30cCCNCCCCCCCCCCCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;s3s6;d7;s8;d9;d6s10;s5;s12;s13;s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.39983
Area:654.185
Solvation:-6.9548
Coulombic:-49.3212
Bond Count [?]
All:32
Single:24
Double:8
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:410.506
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.25
LogP (Chemaxon):4.01

Name Annotations

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Descriptor Annotations

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