Chemical ID: 5999126

CC(CC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCC=C)CC(C)(C)C
Chemical ID:
5999126
Name [?]:
N-allyl-2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CC(CC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)NCC=C)CC(C)(C)C
InChi [?]:
InChI=1/C27H40N4O3/c1-6-14-28-23(32)19-30-20-31(22-10-8-7-9-11-22)27(25(30)34)12-15-29(16-13-27)24(33)17-21(2)18-26(3,4)5/h6-11,21H,1,12-20H2,2-5H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:29,1,32,33,34,28,20,19,21,18,22,8,10,27,7,11,3,30,23,15,2,17,24,4,12,31,9,26,6,14,16,25,5,13/E:(3,4,5)(8,9)(10,11)(12,13)(15,16)/rA:34cCCCCONCCCCCCONCNCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s27;d28;s2;s30;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H40N4O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:13.1249
Area:727.681
Solvation:-5.06712
Coulombic:-63.1167
Bond Count [?]
All:36
Single:29
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:468.632
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.78
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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