Chemical ID: 6130861

c1ccc(cc1)CN(Cc2ccccc2)C(=O)COc3ccccc3[N+](=O)[O-]
Chemical ID:
6130861
Name [?]:
N,N-dibenzyl-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)COc3ccccc3[N+](=O)[O-]
InChi [?]:
InChI=1/C22H20N2O4/c25-22(17-28-21-14-8-7-13-20(21)24(26)27)23(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-14H,15-17H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,23,22,3,5,11,15,24,21,7,9,18,4,10,25,20,16,8,26,17,27,28,19/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)(18,19)(26,27)/CRV:24.5/rA:28nCCCCCCCNCCCCCCCCOCOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:2.31711
Area:593.036
Solvation:-12.5088
Coulombic:-35.9648
Bond Count [?]
All:30
Single:19
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:376.405
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):4.47

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Descriptor Annotations

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