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Chemical ID: 5798068
Chemical ID:
5798068
Name [?]:
ethyl 3-(2-ethoxybenzoyl)aminopropanoate
SMILES [?]:
CCOc1ccccc1C(=O)NCCC(=O)OCC
InChi [?]:
InChI=1/C14H19NO4/c1-3-18-12-8-6-5-7-11(12)14(17)15-10-9-13(16)19-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,2,18,7,6,8,5,14,13,9,4,15,10,12,16,11,3,17/rA:19nCCOCCCCCCCONCCCOOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4955 |
Area: | 493.102 |
Solvation: | -4.83206 |
Coulombic: | -46.0177 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 265.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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