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Chemical ID: 4149882

CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3OC)[N+](=O)[O-]

Chemical ID:

4149882

Name [?]:

N-(2-methoxy-4-nitro-phenyl)-2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]-acetamide

SMILES [?]:

CC(C)(c1ccccc1)c2ccc(cc2)OCC(=O)Nc3ccc(cc3OC)[N+](=O)[O-]

InChi [?]:

InChI=1/C24H24N2O5/c1-24(2,17-7-5-4-6-8-17)18-9-12-20(13-10-18)31-16-23(27)25-21-14-11-19(26(28)29)15-22(21)30-3/h4-15H,16H2,1-3H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,3,28,7,6,8,5,9,11,15,23,12,14,22,25,17,4,10,24,13,21,26,18,2,20,29,19,30,31,27,16/E:(1,2)(5,6)(7,8)(9,10)(12,13)(28,29)/CRV:26.5/rA:31nCCCCCCCCCCCCCCCOCCONCCCCCCOCN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;s24;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	6.64954
Area:	664.076
Solvation:	-9.95235
Coulombic:	-49.2932

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	420.458
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.67
LogP (Chemaxon):	5.7

Name Annotations

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

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