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Chemical ID: 6326656
Chemical ID:
6326656
Name [?]:
2-ethyl-N-(2-methoxy-4-nitro-phenyl)-hexanamide
SMILES [?]:
CCCCC(CC)C(=O)Nc1ccc(cc1OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H22N2O4/c1-4-6-7-11(5-2)15(18)16-13-9-8-12(17(19)20)10-14(13)21-3/h8-11H,4-7H2,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,18,2,6,3,4,13,12,15,5,14,11,16,8,10,19,9,20,21,17/E:(19,20)/CRV:17.5/rA:21cCCCCCCCCONCCCCCCOCN+OO-/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.55385 |
Area: | 518.274 |
Solvation: | -7.40301 |
Coulombic: | -40.341 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 294.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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