N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide

C15H21FN2O3 — CID 48894696

IUPACN-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-4-15(21,5-2)9-17-13(19)14(20)18-12-8-10(3)6-7-11(12)16/h6-8,21H,4-5,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWORRUNDLDBSKGX-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.74
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide

N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide (PubChem CID 48894696) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
PubChem CID48894696
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-4-15(21,5-2)9-17-13(19)14(20)18-12-8-10(3)6-7-11(12)16/h6-8,21H,4-5,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWORRUNDLDBSKGX-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(2-fluoro-4-methylphenyl)-N-(2-hydroxy-2-propylpentyl)oxamide
CID 111439190
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N-(2,2-dimethoxyethyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 146080919
N-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
N'-(2-fluoro-5-methylphenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60617178
N'-(2-fluoro-5-methylphenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)butanediamide
CID 46984462
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491170
N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 48894793
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
N-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36805569
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide (CID 48894696) is N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide is CCC(O)(CC)CNC(=O)C(=O)Nc1cc(C)ccc1F.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide?
The InChIKey is WORRUNDLDBSKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-4-15(21,5-2)9-17-13(19)14(20)18-12-8-10(3)6-7-11(12)16/h6-8,21H,4-5,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide?
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide has a molecular weight of 296.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide is sourced from PubChem (CID 48894696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).