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Chemical ID: 6602517
Chemical ID:
6602517
Name [?]:
m-tolylcarbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
Cc1cccc(c1)NC(=O)COC(=O)c2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C18H18N2O4/c1-12-4-3-5-16(10-12)20-17(22)11-24-18(23)14-6-8-15(9-7-14)19-13(2)21/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,4,3,5,16,20,17,19,7,11,2,22,15,18,6,9,13,21,8,23,10,14,12/E:(6,7)(8,9)/rA:24nCCCCCCCNCOCOCOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4143 |
Area: | 559.922 |
Solvation: | -4.58374 |
Coulombic: | -59.6002 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.347 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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