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Chemical ID: 4151948

CC(C)c1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])C(C)C

Chemical ID:

4151948

Name [?]:

N-(2,6-diisopropylphenyl)-2-(2-nitrophenoxy)-acetamide

SMILES [?]:

CC(C)c1cccc(c1NC(=O)COc2ccccc2[N+](=O)[O-])C(C)C

InChi [?]:

InChI=1/C20H24N2O4/c1-13(2)15-8-7-9-16(14(3)4)20(15)21-19(23)12-26-18-11-6-5-10-17(18)22(24)25/h5-11,13-14H,12H2,1-4H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,3,25,26,18,17,6,5,7,19,16,13,2,24,4,8,20,15,11,9,10,21,12,22,23,14/E:(1,2,3,4)(8,9)(13,14)(15,16)(24,25)/CRV:22.5/rA:26nCCCCCCCCCNCOCOCCCCCCN+OO-CCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;s8;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₄
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	2.18809
Area:	574.43
Solvation:	-12.1727
Coulombic:	-38.4657

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	356.416
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	4.83
LogP (Chemaxon):	3.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value