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Chemical ID: 6596643
Chemical ID:
6596643
Name [?]:
(4-methoxyphenyl)carbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C18H18N2O5/c1-12(21)19-14-5-3-13(4-6-14)18(23)25-11-17(22)20-15-7-9-16(24-2)10-8-15/h3-10H,11H2,1-2H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,7,9,6,10,19,23,20,22,14,2,8,5,18,21,15,11,4,17,3,16,12,24,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCONCCCCCCCOOCCONCCCCCCOC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6853 |
Area: | 576.306 |
Solvation: | -5.72234 |
Coulombic: | -66.0993 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 342.346 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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