Chemical ID: 3893691

CN(C)c1ccc(cc1)C(C(=O)NC2CCCCC2)N(CCc3ccccc3)C(=O)Cc4c[nH]c5c4cccc5
Chemical ID:
3893691
Name [?]:
N-cyclohexyl-2-(4-dimethylaminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-phenethyl-amino]-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)C(C(=O)NC2CCCCC2)N(CCc3ccccc3)C(=O)Cc4c[nH]c5c4cccc5
InChi [?]:
InChI=1/C34H40N4O2/c1-37(2)29-19-17-26(18-20-29)33(34(40)36-28-13-7-4-8-14-28)38(22-21-25-11-5-3-6-12-25)32(39)23-27-24-35-31-16-10-9-15-30(27)31/h3,5-6,9-12,15-20,24,28,33,35H,4,7-8,13-14,21-23H2,1-2H3,(H,36,40)
InChi Info:
AuxInfo=1/1/N:1,3,26,17,25,27,16,18,38,39,24,28,15,19,37,40,6,8,5,9,22,21,31,33,23,7,32,14,4,36,35,29,10,11,34,13,2,20,30,12/E:(1,2)(5,6)(7,8)(11,12)(13,14)(17,18)(19,20)/rA:40cCNCCCCCCCCCONCCCCCCNCCCCCCCCCOCCCNCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s10;s20;s21;s22;s23;d24;s25;d26;d23s27;s20;d29;s29;s31;d32;s33;s34;s32s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H40N4O2
All Atoms:40
Heavy Atoms:40
Chiral Atoms:1
ZAP Information [?]
Total:16.1489
Area:819.722
Solvation:-4.34411
Coulombic:-58.5518
Bond Count [?]
All:44
Single:32
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:536.707
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.1
LogP (Chemaxon):6.48

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Descriptor Annotations

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