N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide

C17H26N2O3 — CID 111435734

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)13-8-6-7-9-14(13)19-16(21)15(20)18-10-17(5,22)12(3)4/h6-9,11-12,22H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyLMVLFAMTXGMPIJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.27
Rot. Bonds5

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

N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide (PubChem CID 111435734) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
PubChem CID111435734
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NCC(C)(O)C(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)13-8-6-7-9-14(13)19-16(21)15(20)18-10-17(5,22)12(3)4/h6-9,11-12,22H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyLMVLFAMTXGMPIJ-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 48894793
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'-(2-propan-2-ylphenyl)oxamide
CID 111121495
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500407
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
1-(2-ethoxyphenyl)-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120450
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
N'-(2-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 108500421
N-[(2,4-dimethylphenyl)methyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 60551940
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide (CID 111435734) is N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)NCC(C)(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide?
The InChIKey is LMVLFAMTXGMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)13-8-6-7-9-14(13)19-16(21)15(20)18-10-17(5,22)12(3)4/h6-9,11-12,22H,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111435734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).