Chemical ID: 4158208

CCc1ccccc1OCC(=O)Nc2ccc(cc2C)[N+](=O)[O-]
Chemical ID:
4158208
Name [?]:
2-(2-ethylphenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)Nc2ccc(cc2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H18N2O4/c1-3-13-6-4-5-7-16(13)23-11-17(20)18-15-9-8-14(19(21)22)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,5,6,4,7,16,15,18,10,19,3,17,14,8,11,13,21,12,22,23,9/E:(21,22)/CRV:19.5/rA:23nCCCCCCCCOCCONCCCCCCCN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s17;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.46561
Area:533.92
Solvation:-8.88239
Coulombic:-40.4645
Bond Count [?]
All:24
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.36
LogP (Chemaxon):3.51

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Descriptor Annotations

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