Chemical ID: 5407679

Cc1ccccc1NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C
Chemical ID:
5407679
Name [?]:
o-tolylcarbamoylmethyl 2-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)acetate
SMILES [?]:
Cc1ccccc1NC(=O)COC(=O)CN2C(=O)C(NC2=O)(C)C
InChi [?]:
InChI=1/C16H19N3O5/c1-10-6-4-5-7-11(10)17-12(20)9-24-13(21)8-19-14(22)16(2,3)18-15(19)23/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,4,5,3,6,15,11,2,7,9,13,17,21,19,8,20,16,10,14,18,22,12/E:(2,3)/rA:24nCCCCCCCNCOCOCOCNCOCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;s16;d17;s17;s19;s16s20;d21;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.86089
Area:547.347
Solvation:-4.82278
Coulombic:-78.0968
Bond Count [?]
All:25
Single:18
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.339
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:0.13
LogP (Chemaxon):0.11

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Descriptor Annotations

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