N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide

C13H16N4O4 — CID 9351495

IUPACN'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESC/C(=N/NC(=O)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O4/c1-8(2)14-12(18)13(19)16-15-9(3)10-5-4-6-11(7-10)17(20)21/h4-8H,1-3H3,(H,14,18)(H,16,19)/b15-9-
InChIKeyBFTQHSZHIFURFL-DHDCSXOGSA-N
MW292.30 g/mol
LogP0.96
Rot. Bonds4

About N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide

N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide (PubChem CID 9351495) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
PubChem CID9351495
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
SMILESC/C(=N/NC(=O)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O4/c1-8(2)14-12(18)13(19)16-15-9(3)10-5-4-6-11(7-10)17(20)21/h4-8H,1-3H3,(H,14,18)(H,16,19)/b15-9-
InChIKeyBFTQHSZHIFURFL-DHDCSXOGSA-N
XLogP0.96
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
N-(3,5-dichlorophenyl)-N'-[1-(3-nitrophenyl)ethylideneamino]oxamide
CID 3650302
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000
4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 4925093
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide (CID 9351495) is N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide is C/C(=N/NC(=O)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide?
The InChIKey is BFTQHSZHIFURFL-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8(2)14-12(18)13(19)16-15-9(3)10-5-4-6-11(7-10)17(20)21/h4-8H,1-3H3,(H,14,18)(H,16,19)/b15-9-.
What are the key properties of N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide has a molecular weight of 292.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 9351495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).