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Chemical ID: 6210707
Chemical ID:
6210707
Name [?]:
N-[2-(1-cyclohexenyl)ethyl]-4-(1-methylindol-3-yl)-butanamide
SMILES [?]:
Cn1cc(c2c1cccc2)CCCC(=O)NCCC3=CCCCC3
InChi [?]:
InChI=1/C21H28N2O/c1-23-16-18(19-11-5-6-12-20(19)23)10-7-13-21(24)22-15-14-17-8-3-2-4-9-17/h5-6,8,11-12,16H,2-4,7,9-10,13-15H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,9,8,12,20,24,11,10,7,13,18,17,3,19,4,5,6,14,16,2,15/rA:24nCNCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8957 |
Area: | 584.097 |
Solvation: | -2.70667 |
Coulombic: | -27.9772 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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