N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide

C16H24N2O4 — CID 7292869

IUPACN-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
SMILESCCOC(CNC(=O)C(=O)Nc1ccc(C)c(C)c1)OCC
InChIInChI=1S/C16H24N2O4/c1-5-21-14(22-6-2)10-17-15(19)16(20)18-13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNZMQHZNJUKKCKG-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.76
Rot. Bonds7

About N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide

N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide (PubChem CID 7292869) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
PubChem CID7292869
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide
SMILESCCOC(CNC(=O)C(=O)Nc1ccc(C)c(C)c1)OCC
InChIInChI=1S/C16H24N2O4/c1-5-21-14(22-6-2)10-17-15(19)16(20)18-13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNZMQHZNJUKKCKG-UHFFFAOYSA-N
XLogP1.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.76
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'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N-(2,2-diethoxyethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688082
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
N-(3,4-dimethylphenyl)-2-[2-(2-methylbutanoyl)hydrazinyl]-2-oxoacetamide
CID 102561459
ethyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
CID 47187195
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 172894059
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide (CID 7292869) is N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide is CCOC(CNC(=O)C(=O)Nc1ccc(C)c(C)c1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide?
The InChIKey is NZMQHZNJUKKCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-21-14(22-6-2)10-17-15(19)16(20)18-13-8-7-11(3)12(4)9-13/h7-9,14H,5-6,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide?
N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide has a molecular weight of 308.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-N'-(3,4-dimethylphenyl)oxamide is sourced from PubChem (CID 7292869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).