Chemical ID: 5998408

CC(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
Chemical ID:
5998408
Name [?]:
N,N-dimethyl-2-[8-(2-methylpropanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CC(C)C(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
InChi [?]:
InChI=1/C21H30N4O3/c1-16(2)19(27)23-12-10-21(11-13-23)20(28)24(14-18(26)22(3)4)15-25(21)17-8-6-5-7-9-17/h5-9,16H,10-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,27,28,20,19,21,18,22,8,10,7,11,23,15,2,17,24,4,12,9,26,6,14,16,25,5,13/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:28cCCCCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H30N4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.57275
Area:588.068
Solvation:-5.12895
Coulombic:-55.5961
Bond Count [?]
All:30
Single:24
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.488
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.27
LogP (Chemaxon):1.3

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Descriptor Annotations

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