Chemical ID: 6008301

CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NC4CCCCC4
Chemical ID:
6008301
Name [?]:
N-cyclohexyl-2-[8-(2-ethylhexanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CCCCC(CC)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C29H44N4O3/c1-3-5-12-23(4-2)27(35)31-19-17-29(18-20-31)28(36)32(22-33(29)25-15-10-7-11-16-25)21-26(34)30-24-13-8-6-9-14-24/h7,10-11,15-16,23-24H,3-6,8-9,12-14,17-22H2,1-2H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,7,2,6,3,34,24,33,35,23,25,4,32,36,22,26,12,14,11,15,27,19,5,31,21,28,8,16,13,30,10,18,20,29,9,17/E:(8,9)(10,11)(13,14)(15,16)(17,18)(19,20)/rA:36cCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s13s19;s20;s21;d22;s23;d24;d21s25;s18;s27;d28;s28;s30;s31;s32;s33;s34;s31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H44N4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:2
ZAP Information [?]
Total:13.5541
Area:740.203
Solvation:-4.95093
Coulombic:-62.6652
Bond Count [?]
All:39
Single:33
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:496.685
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.23
LogP (Chemaxon):4.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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