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Chemical ID: 6389230
Chemical ID:
6389230
Name [?]:
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cc(ccc1OC)OC
InChi [?]:
InChI=1/C13H19NO3/c1-13(2,3)12(15)14-10-8-9(16-4)6-7-11(10)17-5/h6-8H,1-5H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,15,11,12,9,10,8,13,5,2,7,6,16,14/E:(1,2,3)/rA:17nCCCCCONCCCCCCOCOC/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s14;s10;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.5309 |
Area: | 427.451 |
Solvation: | -4.15538 |
Coulombic: | -35.1031 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 237.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.85 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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