N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

C18H28N2O3 — CID 111798073

IUPACN-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
SMILESCC(C)CC(CO)NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)10-13(11-21)19-16(22)17(23)20-15-9-7-6-8-14(15)18(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyANGFUSBGLUBFML-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.45
Rot. Bonds5

About N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide

N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (PubChem CID 111798073) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
PubChem CID111798073
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
SMILESCC(C)CC(CO)NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)10-13(11-21)19-16(22)17(23)20-15-9-7-6-8-14(15)18(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyANGFUSBGLUBFML-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-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943
N-(2,4-difluorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798025
1-(2-tert-butylphenyl)-3-(3-methylbutyl)urea
CID 47195294
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
CID 58635218
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
1-[2-(dimethylamino)phenyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111113058
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide (CID 111798073) is N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide is CC(C)CC(CO)NC(=O)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
The InChIKey is ANGFUSBGLUBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)10-13(11-21)19-16(22)17(23)20-15-9-7-6-8-14(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-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide?
N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)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-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide is sourced from PubChem (CID 111798073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).