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Chemical ID: 7292775
Chemical ID:
7292775
Name [?]:
N-(1,1-dimethylpropyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-propanamide
SMILES [?]:
CCC(C)(C)NC(=O)CCN1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H19N3O5/c1-4-16(2,3)17-12(20)8-9-18-14(21)10-6-5-7-11(19(23)24)13(10)15(18)22/h5-7H,4,8-9H2,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,16,15,17,9,10,14,18,7,19,12,20,3,6,11,22,8,13,21,23,24/E:(2,3)(23,24)/CRV:19.5/rA:24nCCCCCNCOCCNCOCCCCCCCON+OO-/rB:s1;s2;s3;s3;s3;s6;d7;s7;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;d20;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O5 |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.851 |
Area: | 529.812 |
Solvation: | -10.3943 |
Coulombic: | -52.7419 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.339 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.89 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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