N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

C19H22N2O2 — CID 108532413

IUPACN-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1c(C)cccc1C)c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-5-21(16-11-6-8-13(2)12-16)19(23)18(22)20-17-14(3)9-7-10-15(17)4/h6-12H,5H2,1-4H3,(H,20,22)
InChIKeyJQVPMPCMQJEYGE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.60
Rot. Bonds3

About N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide

N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (PubChem CID 108532413) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
PubChem CID108532413
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1c(C)cccc1C)c1cccc(C)c1
InChIInChI=1S/C19H22N2O2/c1-5-21(16-11-6-8-13(2)12-16)19(23)18(22)20-17-14(3)9-7-10-15(17)4/h6-12H,5H2,1-4H3,(H,20,22)
InChIKeyJQVPMPCMQJEYGE-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(2-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
CID 108513389
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-(2-aminobenzoyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108529447

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide (CID 108532413) is N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is CCN(C(=O)C(=O)Nc1c(C)cccc1C)c1cccc(C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
The InChIKey is JQVPMPCMQJEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-5-21(16-11-6-8-13(2)12-16)19(23)18(22)20-17-14(3)9-7-10-15(17)4/h6-12H,5H2,1-4H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide?
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide has a molecular weight of 310.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 108532413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).