Chemical ID: 6324077

c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)NC3CCCCC3
Chemical ID:
6324077
Name [?]:
N-cyclohexyl-4-(4-nitro-1,3-dioxo-isoindolin-2-yl)-butanamide
SMILES [?]:
c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)CCCC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C18H21N3O5/c22-15(19-12-6-2-1-3-7-12)10-5-11-20-17(23)13-8-4-9-14(21(25)26)16(13)18(20)24/h4,8-9,12H,1-3,5-7,10-11H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:24,23,25,1,16,22,26,2,6,17,15,21,3,5,18,4,13,10,20,12,7,19,14,11,8,9/E:(2,3)(6,7)(25,26)/CRV:21.5/rA:26nCCCCCCN+OO-CONCOCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;d18;s18;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N3O5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.61818
Area:574.623
Solvation:-10.7474
Coulombic:-53.1015
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:359.377
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.42
LogP (Chemaxon):1.52

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Descriptor Annotations

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