Chemical ID: 6761933

CCCCC(=O)C1C(=O)CCC=C1NCCc2c([nH]c3c2cccc3)C
Chemical ID:
6761933
Name [?]:
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-2-pentanoyl-cyclohex-3-en-1-one
SMILES [?]:
CCCCC(=O)C1C(=O)CCC=C1NCCc2c([nH]c3c2cccc3)C
InChi [?]:
InChI=1/C22H28N2O2/c1-3-4-11-20(25)22-19(10-7-12-21(22)26)23-14-13-16-15(2)24-18-9-6-5-8-17(16)18/h5-6,8-10,22-24H,3-4,7,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,23,24,11,22,25,12,4,10,16,15,18,17,21,20,13,5,8,7,14,19,6,9/rA:26cCCCCCOCCOCCCCNCCCCNCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s8;s10;s11;s7d12;s13;s14;s15;s16;d17;s18;s19;s17s20;d21;s22;d23;d20s24;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O2
All Atoms:54
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.9163
Area:606.033
Solvation:-4.23455
Coulombic:-36.6978
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.47
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):4.16

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