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Chemical ID: 7344402
Chemical ID:
7344402
Name [?]:
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)NCCc1c[nH]c2c1ccc(c2)OC
InChi [?]:
InChI=1/C15H20N2O2/c1-10(2)15(18)16-7-6-11-9-17-14-8-12(19-3)4-5-13(11)14/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,3,19,15,14,8,7,17,10,2,9,16,13,12,4,6,11,5,18/E:(1,2)/rA:19nCCCCONCCCCNCCCCCCOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;s11;s9s12;d13;s14;d15;d12s16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O2 |
All Atoms: | 39 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.36133 |
Area: | 476.285 |
Solvation: | -3.5458 |
Coulombic: | -38.6326 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 260.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.11 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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