Chemical ID: 5997992

CCC(c1ccccc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCC(C)C
Chemical ID:
5997992
Name [?]:
N-isobutyl-2-[4-oxo-1-phenyl-8-(2-phenylbutanoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCC(C)C
InChi [?]:
InChI=1/C29H38N4O3/c1-4-25(23-11-7-5-8-12-23)27(35)31-17-15-29(16-18-31)28(36)32(20-26(34)30-19-22(2)3)21-33(29)24-13-9-6-10-14-24/h5-14,22,25H,4,15-21H2,1-3H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,35,36,2,7,26,6,8,25,27,5,9,24,28,14,16,13,17,33,29,21,34,4,23,3,30,10,18,15,32,12,20,22,31,11,19/E:(2,3)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:36cCCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s15s21;s22;s23;d24;s25;d26;d23s27;s20;s29;d30;s30;s32;s33;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:12.7558
Area:718.971
Solvation:-5.21842
Coulombic:-63.4802
Bond Count [?]
All:39
Single:30
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:490.637
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.97
LogP (Chemaxon):3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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