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Chemical ID: 4242119
Chemical ID:
4242119
Name [?]:
N-(4-methoxy-3,5-dimethyl-phenyl)propanamide
SMILES [?]:
CCC(=O)Nc1cc(c(c(c1)C)OC)C
InChi [?]:
InChI=1/C12H17NO2/c1-5-11(14)13-10-6-8(2)12(15-4)9(3)7-10/h6-7H,5H2,1-4H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,15,14,2,11,7,10,8,6,3,9,5,4,13/E:(2,3)(6,7)(8,9)/rA:15nCCCONCCCCCCCOCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;s9;s13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08265 |
Area: | 394.992 |
Solvation: | -2.79215 |
Coulombic: | -26.9998 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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