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Chemical ID: 5494204
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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