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Chemical ID: 5442003
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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