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Chemical ID: 7295217
Chemical ID:
7295217
Name [?]:
N-benzyl-2-(2-nitrophenoxy)-N-tert-butyl-acetamide
SMILES [?]:
CC(C)(C)N(Cc1ccccc1)C(=O)COc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C19H22N2O4/c1-19(2,3)20(13-15-9-5-4-6-10-15)18(22)14-25-17-12-8-7-11-16(17)21(23)24/h4-12H,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,9,11,20,19,8,12,21,18,6,15,7,22,17,13,2,5,23,14,24,25,16/E:(1,2,3)(5,6)(9,10)(23,24)/CRV:21.5/rA:25nCCCCNCCCCCCCCOCOCCCCCCN+OO-/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 47 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.53462 |
Area: | 533.592 |
Solvation: | -11.8052 |
Coulombic: | -34.7214 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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