N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide

C17H26N2O3 — CID 111798693

IUPACN'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)13-7-5-6-8-15(13)19-17(22)16(21)18-14(9-10-20)12(3)4/h5-8,11-12,14,20H,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyFPNKRRLIPNYKGR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.27
Rot. Bonds6

About N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide

N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide (PubChem CID 111798693) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
PubChem CID111798693
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)NC(CCO)C(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)13-7-5-6-8-15(13)19-17(22)16(21)18-14(9-10-20)12(3)4/h5-8,11-12,14,20H,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyFPNKRRLIPNYKGR-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'}

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Related Compounds

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-propan-2-ylphenyl)propanamide
CID 723442
N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
CID 108500546
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N'-(2,6-dichlorophenyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500627
4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
CID 111798745
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 111435734
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide (CID 111798693) is N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)NC(CCO)C(C)C.
What is the InChIKey of N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide?
The InChIKey is FPNKRRLIPNYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)13-7-5-6-8-15(13)19-17(22)16(21)18-14(9-10-20)12(3)4/h5-8,11-12,14,20H,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide?
N'-(1-hydroxy-4-methylpentan-3-yl)-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'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111798693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).