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Chemical ID: 5849790
Chemical ID:
5849790
Name [?]:
N-[(2-methoxyphenyl)methyl]-2,2-dimethyl-butanamide
SMILES [?]:
CCC(C)(C)C(=O)NCc1ccccc1OC
InChi [?]:
InChI=1/C14H21NO2/c1-5-14(2,3)13(16)15-10-11-8-6-7-9-12(11)17-4/h6-9H,5,10H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,5,17,2,12,13,11,14,9,10,15,6,3,8,7,16/E:(2,3)/rA:17nCCCCCCONCCCCCCCOC/rB:s1;s2;s3;s3;s3;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96677 |
Area: | 438.291 |
Solvation: | -2.9905 |
Coulombic: | -29.9309 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.65 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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