N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide

C14H20N2O4 — CID 7541582

IUPACN-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(OC)OC)cc1
InChIInChI=1S/C14H20N2O4/c1-4-10-5-7-11(8-6-10)16-14(18)13(17)15-9-12(19-2)20-3/h5-8,12H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyDFBZWWMWWDARBG-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.92
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide

N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide (PubChem CID 7541582) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
PubChem CID7541582
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCC(OC)OC)cc1
InChIInChI=1S/C14H20N2O4/c1-4-10-5-7-11(8-6-10)16-14(18)13(17)15-9-12(19-2)20-3/h5-8,12H,4,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyDFBZWWMWWDARBG-UHFFFAOYSA-N
XLogP0.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
2-(4-acetamidophenyl)-N-(2,2-dimethoxyethyl)acetamide
CID 108792637
N'-(3,5-dichlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108530034
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
N'-(2,2-dimethoxyethyl)-N-ethyloxamide
CID 44997787
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide (CID 7541582) is N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)NCC(OC)OC)cc1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide?
The InChIKey is DFBZWWMWWDARBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10-5-7-11(8-6-10)16-14(18)13(17)15-9-12(19-2)20-3/h5-8,12H,4,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide?
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide has a molecular weight of 280.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide is sourced from PubChem (CID 7541582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).