Chemical ID: 5442003

Cc1ccc(cc1)NC(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O
Chemical ID:
5442003
Name [?]:
N-(p-tolyl)-2-(7,7,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]dec-2-yl)-acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CN2C(=O)C3(CC(CC(C3)(C)C)C)NC2=O
InChi [?]:
InChI=1/C20H27N3O3/c1-13-5-7-15(8-6-13)21-16(24)11-23-17(25)20(22-18(23)26)10-14(2)9-19(3,4)12-20/h5-8,14H,9-12H2,1-4H3,(H,21,24)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,23,21,22,3,7,4,6,18,16,11,20,2,17,5,9,13,25,19,15,8,24,12,10,14,26/E:(3,4)(5,6)(7,8)/rA:26cCCCCCCCNCOCNCOCCCCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s19;s19;s17;s15;s12s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.6239
Area:562.23
Solvation:-3.43184
Coulombic:-61.1772
Bond Count [?]
All:28
Single:22
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.2
LogP (Chemaxon):3.11

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Descriptor Annotations

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