Chemical ID: 6795151

COc1ccc(cc1OC)CCNC(=O)CCNC(=O)c2ccc3c(c2)OCO3
Chemical ID:
6795151
Name [?]:
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]ethyl]benzo[1,3]dioxole-5-carboxamide
SMILES [?]:
COc1ccc(cc1OC)CCNC(=O)CCNC(=O)c2ccc3c(c2)OCO3
InChi [?]:
InChI=1/C21H24N2O6/c1-26-16-5-3-14(11-18(16)27-2)7-9-22-20(24)8-10-23-21(25)15-4-6-17-19(12-15)29-13-28-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,10,5,22,4,23,11,16,12,17,7,26,28,6,21,3,24,8,25,14,19,13,18,15,20,2,9,29,27/rA:29nCOCCCCCCOCCCNCOCCNCOCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O6
All Atoms:53
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.96423
Area:661.676
Solvation:-8.57768
Coulombic:-71.0238
Bond Count [?]
All:31
Single:23
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:400.425
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.94
LogP (Chemaxon):1.26

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Descriptor Annotations

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