N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide

C14H19N3O5 — CID 86995402

IUPACN'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O5/c1-3-10-5-6-11(9-12(10)17(20)21)16-14(19)13(18)15-7-4-8-22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCGDRXXQVSOGJCO-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.25
Rot. Bonds7

About N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide

N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide (PubChem CID 86995402) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
PubChem CID86995402
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCCOC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O5/c1-3-10-5-6-11(9-12(10)17(20)21)16-14(19)13(18)15-7-4-8-22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyCGDRXXQVSOGJCO-UHFFFAOYSA-N
XLogP1.25
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 86995657
N'-(4-ethyl-3-nitrophenyl)-N-(2-naphthalen-1-ylethyl)oxamide
CID 86997125
2-amino-N-(4-ethyl-3-nitrophenyl)-4-methoxybutanamide
CID 62472666
N'-(4-ethyl-3-nitrophenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
CID 86997119
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691
N'-(4-chloro-3-nitrophenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 108512751
N'-(2-chloro-5-nitrophenyl)-N-(3-methoxypropyl)oxamide
CID 108506355

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide (CID 86995402) is N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide is CCc1ccc(NC(=O)C(=O)NCCCOC)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide?
The InChIKey is CGDRXXQVSOGJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-3-10-5-6-11(9-12(10)17(20)21)16-14(19)13(18)15-7-4-8-22-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide?
N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide has a molecular weight of 309.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 86995402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).