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Chemical ID: 6934743
Chemical ID:
6934743
Name [?]:
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)NCc1ccccc1OC
InChi [?]:
InChI=1/C14H21NO2/c1-14(2,3)9-13(16)15-10-11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,12,13,11,14,5,9,10,15,6,2,8,7,16/E:(1,2,3)/rA:17nCCCCCCONCCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO2 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.96673 |
Area: | 438.057 |
Solvation: | -2.98471 |
Coulombic: | -29.2297 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 235.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.27 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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