N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide

C17H26N2O3 — CID 48894793

IUPACN-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-5-17(22,6-2)11-18-15(20)16(21)19-14-10-8-7-9-13(14)12(3)4/h7-10,12,22H,5-6,11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyFYTOMCDFWBODHW-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.42
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide

N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide (PubChem CID 48894793) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
PubChem CID48894793
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-5-17(22,6-2)11-18-15(20)16(21)19-14-10-8-7-9-13(14)12(3)4/h7-10,12,22H,5-6,11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyFYTOMCDFWBODHW-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.42
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-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111435734
N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111121495
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(2-ethyl-2-hydroxybutyl)-N'-(4-phenylphenyl)oxamide
CID 48894767
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide (CID 48894793) is N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide is CCC(O)(CC)CNC(=O)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide?
The InChIKey is FYTOMCDFWBODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-17(22,6-2)11-18-15(20)16(21)19-14-10-8-7-9-13(14)12(3)4/h7-10,12,22H,5-6,11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide?
N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.42, 6 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-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 48894793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).