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Chemical ID: 7384415
Chemical ID:
7384415
Name [?]:
3-methyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]butanamide
SMILES [?]:
Cc1ccc2c(c1)c(c[nH]2)CCNC(=O)CC(C)C
InChi [?]:
InChI=1/C16H22N2O/c1-11(2)8-16(19)17-7-6-13-10-18-15-5-4-12(3)9-14(13)15/h4-5,9-11,18H,6-8H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:18,19,1,3,4,11,12,16,7,9,17,2,8,6,5,14,13,10,15/E:(1,2)/rA:19nCCCCCCCCCNCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s8;s11;s12;s13;d14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O |
All Atoms: | 41 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77955 |
Area: | 483.332 |
Solvation: | -2.30374 |
Coulombic: | -32.2156 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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