N-(2-tert-butylphenyl)-N',N'-diethyloxamide

C16H24N2O2 — CID 47335864

IUPACN-(2-tert-butylphenyl)-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-6-18(7-2)15(20)14(19)17-13-11-9-8-10-12(13)16(3,4)5/h8-11H,6-7H2,1-5H3,(H,17,19)
InChIKeyMHVQFERHBQADHZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds3

About N-(2-tert-butylphenyl)-N',N'-diethyloxamide

N-(2-tert-butylphenyl)-N',N'-diethyloxamide (PubChem CID 47335864) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N',N'-diethyloxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N',N'-diethyloxamide
PubChem CID47335864
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-tert-butylphenyl)-N',N'-diethyloxamide
SMILESCCN(CC)C(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-6-18(7-2)15(20)14(19)17-13-11-9-8-10-12(13)16(3,4)5/h8-11H,6-7H2,1-5H3,(H,17,19)
InChIKeyMHVQFERHBQADHZ-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
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-tert-butylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108530217
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830
N-(2-tert-butylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 34160293
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979076
N',N'-diethyl-N-phenyloxamide
CID 14925038
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
2-amino-N-(2-tert-butylphenyl)-2-methylpentanamide;hydrochloride
CID 119399942
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
2-bromo-N-(2-tert-butylphenyl)butanamide
CID 62855574
N-(2-tert-butylphenyl)-2-[cyclopropyl(ethyl)amino]acetamide
CID 86928197
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N',N'-diethyloxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N',N'-diethyloxamide (CID 47335864) is N-(2-tert-butylphenyl)-N',N'-diethyloxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N',N'-diethyloxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N',N'-diethyloxamide is CCN(CC)C(=O)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N',N'-diethyloxamide?
The InChIKey is MHVQFERHBQADHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-18(7-2)15(20)14(19)17-13-11-9-8-10-12(13)16(3,4)5/h8-11H,6-7H2,1-5H3,(H,17,19).
What are the key properties of N-(2-tert-butylphenyl)-N',N'-diethyloxamide?
N-(2-tert-butylphenyl)-N',N'-diethyloxamide has a molecular weight of 276.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N',N'-diethyloxamide is sourced from PubChem (CID 47335864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).