Chemical ID: 5922749

Cc1ccc(cc1)Cn2cc(c3c2cccc3)C(CC(=O)NCCC(C)C)c4cccc(c4)C
Chemical ID:
5922749
Name [?]:
N-isopentyl-3-(m-tolyl)-3-[1-(p-tolylmethyl)indol-3-yl]-propanamide
SMILES [?]:
Cc1ccc(cc1)Cn2cc(c3c2cccc3)C(CC(=O)NCCC(C)C)c4cccc(c4)C
InChi [?]:
InChI=1/C31H36N2O/c1-22(2)16-17-32-31(34)19-28(26-9-7-8-24(4)18-26)29-21-33(30-11-6-5-10-27(29)30)20-25-14-12-23(3)13-15-25/h5-15,18,21-22,28H,16-17,19-20H2,1-4H3,(H,32,34)
InChi Info:
AuxInfo=1/1/N:26,27,1,34,16,15,30,31,29,17,14,3,7,4,6,24,23,33,19,8,10,25,2,32,5,28,12,18,11,13,20,22,9,21/E:(1,2)(12,13)(14,15)/rA:34cCCCCCCCCNCCCCCCCCCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s9s12;d13;s14;d15;d12s16;s11;s18;s19;d20;s20;s22;s23;s24;s25;s25;s18;s28;d29;s30;d31;d28s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H36N2O
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:15.294
Area:742.925
Solvation:-3.27911
Coulombic:-30.4282
Bond Count [?]
All:37
Single:26
Double:11
Rotors:10
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:452.63
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.71
LogP (Chemaxon):7.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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