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Chemical ID: 5848685
Chemical ID:
5848685
Name [?]:
N-(2,4-dimethoxyphenyl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1ccc(cc1OC)OC
InChi [?]:
InChI=1/C14H21NO3/c1-5-10(6-2)14(16)15-12-8-7-11(17-3)9-13(12)18-4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,18,16,2,4,11,10,13,3,12,9,14,6,8,7,17,15/E:(1,2)(5,6)/rA:18nCCCCCCONCCCCCCOCOC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s12;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.80128 |
Area: | 453.637 |
Solvation: | -3.53963 |
Coulombic: | -35.9819 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 251.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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