Chemical ID: 6028148

CC(C)C(C)NC(=O)CC(c1cc(cc(c1)OC)OC)c2c[nH]c3c2cccc3
Chemical ID:
6028148
Name [?]:
3-(3,5-dimethoxyphenyl)-N-(1,2-dimethylpropyl)-3-(1H-indol-3-yl)propanamide
SMILES [?]:
CC(C)C(C)NC(=O)CC(c1cc(cc(c1)OC)OC)c2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C24H30N2O3/c1-15(2)16(3)26-24(27)13-21(17-10-18(28-4)12-19(11-17)29-5)22-14-25-23-9-7-6-8-20(22)23/h6-12,14-16,21,25H,13H2,1-5H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,5,18,20,27,28,26,29,16,12,14,9,22,2,4,11,15,13,25,10,21,24,7,23,6,8,17,19/E:(1,2)(4,5)(10,11)(18,19)(28,29)/rA:29cCCCCCNCOCCCCCCCCOCOCCCNCCCCCC/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s13;s19;s10;d21;s22;s23;s21s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.6146
Area:635.946
Solvation:-5.28405
Coulombic:-46.4872
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:394.507
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.34
LogP (Chemaxon):4.53

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