N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide

C15H21FN2O3 — CID 111596241

IUPACN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
SMILESCCN(CC(C)(C)O)C(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-4-18(10-15(2,3)21)14(20)13(19)17-9-11-5-7-12(16)8-6-11/h5-8,21H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyYVBLYMZJTUIWNQ-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.06
Rot. Bonds5

About N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide

N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide (PubChem CID 111596241) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
PubChem CID111596241
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide
SMILESCCN(CC(C)(C)O)C(=O)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3/c1-4-18(10-15(2,3)21)14(20)13(19)17-9-11-5-7-12(16)8-6-11/h5-8,21H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyYVBLYMZJTUIWNQ-UHFFFAOYSA-N
XLogP1.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.06
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'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
N',N'-diethyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526117
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-phenyloxamide
CID 108518654
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
CID 17248911
N-[(4-fluorophenyl)methyl]-N'-methyl-N'-phenyloxamide
CID 87039327
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 115278279
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(3-methylphenyl)oxamide
CID 108530671
N,N-diethyl-2-[(4-fluorophenyl)methylamino]acetamide
CID 28581599

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide (CID 111596241) is N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide is CCN(CC(C)(C)O)C(=O)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide?
The InChIKey is YVBLYMZJTUIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-4-18(10-15(2,3)21)14(20)13(19)17-9-11-5-7-12(16)8-6-11/h5-8,21H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide?
N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide has a molecular weight of 296.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(4-fluorophenyl)methyl]-N'-(2-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 111596241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).