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Chemical ID: 7310124
Chemical ID:
7310124
Name [?]:
N-(2-methoxyphenyl)-2-norbornan-2-yl-acetamide
SMILES [?]:
COc1ccccc1NC(=O)CC2CC3CCC2C3
InChi [?]:
InChI=1/C16H21NO2/c1-19-15-5-3-2-4-14(15)17-16(18)10-13-9-11-6-7-12(13)8-11/h2-5,11-13H,6-10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,16,17,19,14,12,15,18,13,8,3,10,9,11,2/rA:19cCOCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;s13s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21NO2 |
All Atoms: | 40 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.51343 |
Area: | 446.933 |
Solvation: | -2.6599 |
Coulombic: | -29.162 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 259.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.0 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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