Chemical ID: 5798068

CCOc1ccccc1C(=O)NCCC(=O)OCC
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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