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Chemical ID: 6028148
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
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Experimental Annotations
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Descriptor Annotations
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