N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide

C12H14N4O4 — CID 5363154

IUPACN'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N4O4/c1-2-7-13-11(17)12(18)15-14-8-9-3-5-10(6-4-9)16(19)20/h3-6,8H,2,7H2,1H3,(H,13,17)(H,15,18)/b14-8-
InChIKeyYMLUXXVPTLCYQF-ZSOIEALJSA-N
MW278.27 g/mol
LogP0.57
Rot. Bonds5

About N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide

N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide (PubChem CID 5363154) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
PubChem CID5363154
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC NameN'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N4O4/c1-2-7-13-11(17)12(18)15-14-8-9-3-5-10(6-4-9)16(19)20/h3-6,8H,2,7H2,1H3,(H,13,17)(H,15,18)/b14-8-
InChIKeyYMLUXXVPTLCYQF-ZSOIEALJSA-N
XLogP0.57
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.57
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)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989742
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126006156
N-(4-ethoxyphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6187350
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
N'-[2-(4-nitrophenyl)ethyl]-N-propyloxamide
CID 23279451
methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6261423
N-(4-fluorophenyl)-N'-[(4-nitrophenyl)methylideneamino]oxamide
CID 4187128
N-(4-carbamoylphenyl)-N'-[(E)-(4-nitrophenyl)methylideneamino]oxamide
CID 19661491

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide?
The IUPAC name of N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide (CID 5363154) is N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide.
What is the SMILES notation for N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide?
The canonical SMILES for N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide is CCCNC(=O)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide?
The InChIKey is YMLUXXVPTLCYQF-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-2-7-13-11(17)12(18)15-14-8-9-3-5-10(6-4-9)16(19)20/h3-6,8H,2,7H2,1H3,(H,13,17)(H,15,18)/b14-8-.
What are the key properties of N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide?
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide has a molecular weight of 278.27 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide is sourced from PubChem (CID 5363154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).