Chemical ID: 3996627

CCOc1ccc(cc1OCC)NC(=O)CNC
Chemical ID:
3996627
Name [?]:
N-(3,4-diethoxyphenyl)-2-methylamino-acetamide
SMILES [?]:
CCOc1ccc(cc1OCC)NC(=O)CNC
InChi [?]:
InChI=1/C13H20N2O3/c1-4-17-11-7-6-10(8-12(11)18-5-2)15-13(16)9-14-3/h6-8,14H,4-5,9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,12,18,2,11,6,5,8,16,7,4,9,14,17,13,15,3,10/rA:18nCCOCCCCCCOCCNCOCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.04935
Area:471.446
Solvation:-5.73681
Coulombic:-42.1411
Bond Count [?]
All:18
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:252.31
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.97
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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