N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide

C15H22N2O5 — CID 7541654

IUPACN-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCCOC(CNC(=O)C(=O)Nc1ccccc1OC)OCC
InChIInChI=1S/C15H22N2O5/c1-4-21-13(22-5-2)10-16-14(18)15(19)17-11-8-6-7-9-12(11)20-3/h6-9,13H,4-5,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMVWABGHHBIYWRG-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.15
Rot. Bonds8

About N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide

N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide (PubChem CID 7541654) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
PubChem CID7541654
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide
SMILESCCOC(CNC(=O)C(=O)Nc1ccccc1OC)OCC
InChIInChI=1S/C15H22N2O5/c1-4-21-13(22-5-2)10-16-14(18)15(19)17-11-8-6-7-9-12(11)20-3/h6-9,13H,4-5,10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMVWABGHHBIYWRG-UHFFFAOYSA-N
XLogP1.15
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2-methoxyphenyl)oxamide
CID 90613594
N-(2-amino-2-sulfanylideneethyl)-N'-(2-methoxyphenyl)oxamide
CID 43316144
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
CID 7292869
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
N'-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]oxamide
CID 95341968
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
N-(2,2-dimethoxyethyl)-N'-naphthalen-1-yloxamide
CID 108528052

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide (CID 7541654) is N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide is CCOC(CNC(=O)C(=O)Nc1ccccc1OC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide?
The InChIKey is MVWABGHHBIYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-21-13(22-5-2)10-16-14(18)15(19)17-11-8-6-7-9-12(11)20-3/h6-9,13H,4-5,10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide?
N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide has a molecular weight of 310.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N'-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 7541654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).