Chemical ID: 6011161

CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)OC)OC)C(=O)C(C)C
Chemical ID:
6011161
Name [?]:
N-[[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-isobutyl-2-methyl-propanamide
SMILES [?]:
CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)OC)OC)C(=O)C(C)C
InChi [?]:
InChI=1/C29H39N3O4/c1-20(2)17-32(29(34)21(3)4)19-28(33)31(18-22-11-12-26(35-5)27(15-22)36-6)14-13-23-16-30-25-10-8-7-9-24(23)25/h7-12,15-16,20-21,30H,13-14,17-19H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,35,36,31,29,18,19,17,20,23,24,11,10,27,13,4,21,6,2,34,22,12,16,15,25,26,7,32,14,9,5,8,33,30,28/E:(1,2)(3,4)/rA:36nCCCCNCCONCCCCNCCCCCCCCCCCCCOCOCCOCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s5;d32;s32;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H39N3O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.0334
Area:763.206
Solvation:-8.04673
Coulombic:-57.7359
Bond Count [?]
All:38
Single:29
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:493.638
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.0
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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