N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide

C19H22N2O3 — CID 108528299

IUPACN'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide
SMILESCC(C)(CO)NC(=O)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,14-22)20-17(23)18(24)21(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,22H,13-14H2,1-2H3,(H,20,23)
InChIKeyIBXWBGXBNPFUEQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.11
Rot. Bonds5

About N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide

N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide (PubChem CID 108528299) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide
PubChem CID108528299
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide
SMILESCC(C)(CO)NC(=O)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-19(2,14-22)20-17(23)18(24)21(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,22H,13-14H2,1-2H3,(H,20,23)
InChIKeyIBXWBGXBNPFUEQ-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-phenylurea
CID 108911461
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
ethyl 3-(N-benzylanilino)-2,3-dioxopropanoate
CID 134849073
N'-benzyl-N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 108985483
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108508135

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide?
The IUPAC name of N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide (CID 108528299) is N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide.
What is the SMILES notation for N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide?
The canonical SMILES for N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide is CC(C)(CO)NC(=O)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide?
The InChIKey is IBXWBGXBNPFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,14-22)20-17(23)18(24)21(16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,22H,13-14H2,1-2H3,(H,20,23).
What are the key properties of N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide?
N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide has a molecular weight of 326.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(1-hydroxy-2-methylpropan-2-yl)-N'-phenyloxamide is sourced from PubChem (CID 108528299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).