N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide

C18H28N2O3 — CID 111456250

IUPACN'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
SMILESCC(O)CC(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(10-13(2)21)11-19-16(22)17(23)20-15-8-6-14(7-9-15)18(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeySWKFFMPSWUXPCC-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.45
Rot. Bonds5

About N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide

N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide (PubChem CID 111456250) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide.

Molecular Properties

Compound NameN'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
PubChem CID111456250
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
SMILESCC(O)CC(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(10-13(2)21)11-19-16(22)17(23)20-15-8-6-14(7-9-15)18(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeySWKFFMPSWUXPCC-UHFFFAOYSA-N
XLogP2.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.45
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-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
4-tert-butyl-N-[1-[(4-hydroxy-2-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 111447068
N'-(4-tert-butylphenyl)-N-(cyanomethyl)oxamide
CID 43315681
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N-(4-hydroxy-2-methylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 111456232
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N-(4-tert-butylphenyl)-N'-(4-iodophenyl)oxamide
CID 108529818
5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide
CID 111456252
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N'-(4-tert-butylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985809

Frequently Asked Questions

What is the IUPAC name of N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
The IUPAC name of N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide (CID 111456250) is N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide.
What is the SMILES notation for N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
The canonical SMILES for N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide is CC(O)CC(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
The InChIKey is SWKFFMPSWUXPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(10-13(2)21)11-19-16(22)17(23)20-15-8-6-14(7-9-15)18(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide?
N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide has a molecular weight of 320.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-tert-butylphenyl)-N-(4-hydroxy-2-methylpentyl)oxamide is sourced from PubChem (CID 111456250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).