Chemical ID: 5999270

CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
Chemical ID:
5999270
Name [?]:
3-(dimethylcarbamoylmethyl)-4-oxo-1-phenyl-N-tert-butyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CC(C)(C)NC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)N(C)C
InChi [?]:
InChI=1/C22H33N5O3/c1-21(2,3)23-20(30)25-13-11-22(12-14-25)19(29)26(15-18(28)24(4)5)16-27(22)17-9-7-6-8-10-17/h6-10H,11-16H2,1-5H3,(H,23,30)
InChi Info:
AuxInfo=1/1/N:1,3,4,29,30,22,21,23,20,24,10,12,9,13,25,17,19,26,14,6,2,11,5,28,8,16,18,27,15,7/E:(1,2,3)(4,5)(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCNCONCCCCCCONCNCCCCCCCCONCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s11s17;s18;s19;d20;s21;d22;d19s23;s16;s25;d26;s26;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H33N5O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.0628
Area:630.829
Solvation:-4.70794
Coulombic:-70.1909
Bond Count [?]
All:32
Single:26
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:415.529
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.66
LogP (Chemaxon):0.91

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Descriptor Annotations

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