N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide

C17H26N2O3 — CID 111121495

IUPACN-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-5-12(4)15(20)10-18-16(21)17(22)19-14-9-7-6-8-13(14)11(2)3/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyZYNZPEIMMFXVGK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.27
Rot. Bonds6

About N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide

N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide (PubChem CID 111121495) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
PubChem CID111121495
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCCC(C)C(O)CNC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H26N2O3/c1-5-12(4)15(20)10-18-16(21)17(22)19-14-9-7-6-8-13(14)11(2)3/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyZYNZPEIMMFXVGK-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,5-dimethylphenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121500
N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 48894793
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111435734
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
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-hydroxy-3-methylpentyl)-N'-[3-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490500
N-(2-propan-2-ylphenyl)propanamide
CID 723442
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide (CID 111121495) is N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide is CCC(C)C(O)CNC(=O)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide?
The InChIKey is ZYNZPEIMMFXVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-12(4)15(20)10-18-16(21)17(22)19-14-9-7-6-8-13(14)11(2)3/h6-9,11-12,15,20H,5,10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide?
N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylpentyl)-N'-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111121495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).