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Chemical ID: 5509238
Chemical ID:
5509238
Name [?]:
N-ethyl-2-(4-methylphenoxy)-propanamide
SMILES [?]:
CCNC(=O)C(C)Oc1ccc(cc1)C
InChi [?]:
InChI=1/C12H17NO2/c1-4-13-12(14)10(3)15-11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,7,2,11,13,10,14,12,6,9,4,3,5,8/E:(5,6)(7,8)/rA:15cCCNCOCCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.03414 |
Area: | 410.621 |
Solvation: | -3.23139 |
Coulombic: | -29.8987 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.5 |
LogP (Chemaxon): | 2.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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