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Chemical ID: 6602533
Chemical ID:
6602533
Name [?]:
(3,5-dimethylphenyl)carbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
Cc1cc(cc(c1)NC(=O)COC(=O)c2ccc(cc2)NC(=O)C)C
InChi [?]:
InChI=1/C19H20N2O4/c1-12-8-13(2)10-17(9-12)21-18(23)11-25-19(24)15-4-6-16(7-5-15)20-14(3)22/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,24,16,20,17,19,3,7,5,11,2,4,22,15,18,6,9,13,21,8,23,10,14,12/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:25nCCCCCCCNCOCOCOCCCCCCNCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0001 |
Area: | 582.124 |
Solvation: | -4.55299 |
Coulombic: | -59.3774 |
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: | 2.82 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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