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Chemical ID: 7029242
Chemical ID:
7029242
Name [?]:
2-(7,9-dioxo-8-azaspiro[4.5]dec-8-yl)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CN2C(=O)CC3(CCCC3)CC2=O
InChi [?]:
InChI=1/C18H22N2O3/c1-13-4-6-14(7-5-13)19-15(21)12-20-16(22)10-18(11-17(20)23)8-2-3-9-18/h4-7H,2-3,8-12H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,18,19,3,7,4,6,17,20,15,21,11,2,5,9,13,22,16,8,12,10,14,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(16,17)(22,23)/rA:23nCCCCCCCNCOCNCOCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s16s19;s16;s12s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O3 |
All Atoms: | 45 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.73234 |
Area: | 502.2 |
Solvation: | -3.82266 |
Coulombic: | -44.175 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.379 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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