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Chemical ID: 7294034
Chemical ID:
7294034
Name [?]:
N-(4-acetylphenyl)-2-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-yl)-acetamide
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)CN2C(=O)C(N(C2=O)C)(C)C
InChi [?]:
InChI=1/C16H19N3O4/c1-10(20)11-5-7-12(8-6-11)17-13(21)9-19-14(22)16(2,3)18(4)15(19)23/h5-8H,9H2,1-4H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,5,9,6,8,13,2,4,7,11,15,19,17,10,18,14,3,12,16,20/E:(2,3)(5,6)(7,8)/rA:23nCCOCCCCCCNCOCNCOCNCOCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;s14s18;d19;s18;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O4 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44488 |
Area: | 522.568 |
Solvation: | -4.61931 |
Coulombic: | -62.1235 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.34 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.18 |
LogP (Chemaxon): | 0.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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