Chemical ID: 7300540

CC(=O)NCCNC(=O)c1ccc(cc1OC)OC
Chemical ID:
7300540
Name [?]:
N-(2-acetamidoethyl)-2,4-dimethoxy-benzamide
SMILES [?]:
CC(=O)NCCNC(=O)c1ccc(cc1OC)OC
InChi [?]:
InChI=1/C13H18N2O4/c1-9(16)14-6-7-15-13(17)11-5-4-10(18-2)8-12(11)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,16)(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,19,17,12,11,5,6,14,2,13,10,15,8,4,7,3,9,18,16/rA:19nCCONCCNCOCCCCCCOCOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O4
All Atoms:37
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.91787
Area:480.756
Solvation:-6.10103
Coulombic:-53.736
Bond Count [?]
All:19
Single:14
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:266.293
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.76
LogP (Chemaxon):-0.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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