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Chemical ID: 4684453
Chemical ID:
4684453
Name [?]:
ethyl 4-(phenylcarbamoylmethoxy)benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)OCC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C17H17NO4/c1-2-21-17(20)13-8-10-15(11-9-13)22-12-16(19)18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,22,7,11,8,10,13,6,17,9,14,4,16,15,5,3,12/E:(4,5)(6,7)(8,9)(10,11)/rA:22nCCOCOCCCCCCOCCONCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.35813 |
Area: | 527.733 |
Solvation: | -4.83521 |
Coulombic: | -48.3961 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.03 |
LogP (Chemaxon): | 2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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