Chemical ID: 5755166

c1cc(cc(c1)C(=O)NCCO)C(=O)NCCO
Chemical ID:
5755166
Name [?]:
N,N'-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
SMILES [?]:
c1cc(cc(c1)C(=O)NCCO)C(=O)NCCO
InChi [?]:
InChI=1/C12H16N2O4/c15-6-4-13-11(17)9-2-1-3-10(8-9)12(18)14-5-7-16/h1-3,8,15-16H,4-7H2,(H,13,17)(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,10,17,11,4,3,5,13,7,15,9,18,12,14,8/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/gE:(1,2)/rA:18nCCCCCCCONCCOCONCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s3;d13;s13;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.51713
Area:470.168
Solvation:-5.23707
Coulombic:-76.0297
Bond Count [?]
All:18
Single:13
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:252.267
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-0.59
LogP (Chemaxon):-1.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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