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Chemical ID: 4203905
Chemical ID:
4203905
Name [?]:
N,N-diisopropylnaphthalene-2-carboxamide
SMILES [?]:
CC(C)N(C(C)C)C(=O)c1ccc2ccccc2c1
InChi [?]:
InChI=1/C17H21NO/c1-12(2)18(13(3)4)17(19)16-10-9-14-7-5-6-8-15(14)11-16/h5-13H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,15,16,14,17,12,11,19,2,5,13,18,10,8,4,9/E:(1,2,3,4)(12,13)/rA:19nCCCNCCCCOCCCCCCCCCC/rB:s1;s2;s2;s4;s5;s5;s4;d8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13995 |
Area: | 432.791 |
Solvation: | -1.67983 |
Coulombic: | -20.0097 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.355 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.6 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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