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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value