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Chemical ID: 6602503
Chemical ID:
6602503
Name [?]:
(2,4-dimethylphenyl)carbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)COC(=O)c2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C19H20N2O4/c1-12-4-9-17(13(2)10-12)21-18(23)11-25-19(24)15-5-7-16(8-6-15)20-14(3)22/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,25,3,17,21,18,20,4,7,12,2,6,23,16,19,5,10,14,22,9,24,11,15,13/E:(5,6)(7,8)/rA:25nCCCCCCCCNCOCOCOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91188 |
Area: | 578.245 |
Solvation: | -4.54425 |
Coulombic: | -59.4658 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 340.373 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.61 |
LogP (Chemaxon): | 2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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