Chemical ID: 6322362

CCCCN(CCCC)C(=O)c1ccc(c(c1)[N+](=O)[O-])C
Chemical ID:
6322362
Name [?]:
N,N-dibutyl-4-methyl-3-nitro-benzamide
SMILES [?]:
CCCCN(CCCC)C(=O)c1ccc(c(c1)[N+](=O)[O-])C
InChi [?]:
InChI=1/C16H24N2O3/c1-4-6-10-17(11-7-5-2)16(19)14-9-8-13(3)15(12-14)18(20)21/h8-9,12H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,21,2,8,3,7,14,13,4,6,17,15,12,16,10,5,18,11,19,20/E:(1,2)(4,5)(6,7)(10,11)(20,21)/CRV:18.5/rA:21nCCCCNCCCCCOCCCCCCN+OO-C/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.34067
Area:522.359
Solvation:-6.71831
Coulombic:-30.622
Bond Count [?]
All:21
Single:16
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:292.373
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.26
LogP (Chemaxon):4.03

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Descriptor Annotations

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