2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide

C16H22N4O5 — CID 7666686

IUPAC2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CO/N=C\C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C
InChIInChI=1S/C16H22N4O5/c1-11(2)19(12(3)4)16(22)10-25-17-9-15(21)18-13-6-5-7-14(8-13)20(23)24/h5-9,11-12H,10H2,1-4H3,(H,18,21)/b17-9-
InChIKeyDUAXUWFBEBJODE-MFOYZWKCSA-N
MW350.38 g/mol
LogP2.18
Rot. Bonds8

About 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide

2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide (PubChem CID 7666686) has the molecular formula C16H22N4O5 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
PubChem CID7666686
Molecular FormulaC16H22N4O5
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CO/N=C\C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C
InChIInChI=1S/C16H22N4O5/c1-11(2)19(12(3)4)16(22)10-25-17-9-15(21)18-13-6-5-7-14(8-13)20(23)24/h5-9,11-12H,10H2,1-4H3,(H,18,21)/b17-9-
InChIKeyDUAXUWFBEBJODE-MFOYZWKCSA-N
XLogP2.18
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N-methyl-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666500
(2Z)-2-[2-(azepan-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666200
N-(4-chloro-2-fluorophenyl)-2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666459
(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666370
N-[4-[2-[di(propan-2-yl)amino]-2-oxoethoxy]phenyl]-3-nitrobenzamide
CID 9253599
ethane;N-(3-nitrophenyl)prop-2-enamide
CID 142347687
3-methoxy-N-(3-nitrophenyl)but-2-enamide
CID 54522333
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
CID 2415241
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide (CID 7666686) is 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CO/N=C\C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C.
What is the InChIKey of 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?
The InChIKey is DUAXUWFBEBJODE-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H22N4O5/c1-11(2)19(12(3)4)16(22)10-25-17-9-15(21)18-13-6-5-7-14(8-13)20(23)24/h5-9,11-12H,10H2,1-4H3,(H,18,21)/b17-9-.
What are the key properties of 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide?
2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7666686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).