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Chemical ID: 7381018
Chemical ID:
7381018
Name [?]:
2-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]propanamide
SMILES [?]:
Cc1ccc2c(c1)c(c[nH]2)CCNC(=O)C(C)C
InChi [?]:
InChI=1/C15H20N2O/c1-10(2)15(18)16-7-6-12-9-17-14-5-4-11(3)8-13(12)14/h4-5,8-10,17H,6-7H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,3,4,11,12,7,9,16,2,8,6,5,14,13,10,15/E:(1,2)/rA:18nCCCCCCCCCNCCNCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s8;s11;s12;s13;d14;s14;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O |
All Atoms: | 38 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.22592 |
Area: | 461.035 |
Solvation: | -2.29995 |
Coulombic: | -32.1741 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.63 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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