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Chemical ID: 6721860
Chemical ID:
6721860
Name [?]:
N-(2-methylcyclohexyl)-3-(1-methylindol-3-yl)-propanamide
SMILES [?]:
CC1CCCCC1NC(=O)CCc2cn(c3c2cccc3)C
InChi [?]:
InChI=1/C19H26N2O/c1-14-7-3-5-9-17(14)20-19(22)12-11-15-13-21(2)18-10-6-4-8-16(15)18/h4,6,8,10,13-14,17H,3,5,7,9,11-12H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,4,19,5,20,3,18,6,21,12,11,14,2,13,17,7,16,9,8,15,10/rA:22cCCCCCCCNCOCCCCNCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;s12;d13;s14;s15;s13s16;d17;s18;d19;d16s20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O |
All Atoms: | 48 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8257 |
Area: | 523.567 |
Solvation: | -2.26347 |
Coulombic: | -27.6279 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.423 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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