Chemical ID: 4245827

CCOCC(=O)Nc1ccc(cc1)C(=O)OC
Chemical ID:
4245827
Name [?]:
methyl 4-(2-ethoxyacetyl)aminobenzoate
SMILES [?]:
CCOCC(=O)Nc1ccc(cc1)C(=O)OC
InChi [?]:
InChI=1/C12H15NO4/c1-3-17-8-11(14)13-10-6-4-9(5-7-10)12(15)16-2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,17,2,10,12,9,13,4,11,8,5,14,7,6,15,16,3/E:(4,5)(6,7)/rA:17nCCOCCONCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.18764
Area:445.693
Solvation:-4.95469
Coulombic:-47.2943
Bond Count [?]
All:17
Single:12
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:237.252
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.12
LogP (Chemaxon):0.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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