Chemical ID: 6210707

Cn1cc(c2c1cccc2)CCCC(=O)NCCC3=CCCCC3
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

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