Chemical ID: 5494204

COc1ccc(c(c1)NC(=O)CC2CC3CCC2C3)OC
Chemical ID:
5494204
Name [?]:
N-(2,5-dimethoxyphenyl)-2-norbornan-2-yl-acetamide
SMILES [?]:
COc1ccc(c(c1)NC(=O)CC2CC3CCC2C3)OC
InChi [?]:
InChI=1/C17H23NO3/c1-20-14-5-6-16(21-2)15(10-14)18-17(19)9-13-8-11-3-4-12(13)7-11/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,16,17,4,5,19,14,12,8,15,18,13,3,7,6,10,9,11,2,20/rA:21cCOCCCCCCNCOCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;s6;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:7.84076
Area:482.158
Solvation:-4.2132
Coulombic:-34.906
Bond Count [?]
All:23
Single:19
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.369
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):2.67

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Descriptor Annotations

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