Chemical ID: 6721860

CC1CCCCC1NC(=O)CCc2cn(c3c2cccc3)C
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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