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Chemical ID: 6565366
Chemical ID:
6565366
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)OCC
InChi [?]:
InChI=1/C19H21NO5/c1-3-23-16-9-5-14(6-10-16)19(22)25-13-18(21)20-15-7-11-17(12-8-15)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,6,8,18,22,5,9,19,21,13,7,17,4,20,14,10,16,15,11,3,23,12/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCOCCCCCCCOOCCONCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19652 |
Area: | 592.885 |
Solvation: | -5.62562 |
Coulombic: | -55.0796 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 2.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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