N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C17H26N2O3 — CID 108526288

IUPACN-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c(O)c1
InChIInChI=1S/C17H26N2O3/c1-11-7-8-12(13(20)9-11)18-14(21)15(22)19-17(5,6)10-16(2,3)4/h7-9,20H,10H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyGIIZWICHAOKVAG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds3

About N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108526288) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108526288
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c(O)c1
InChIInChI=1S/C17H26N2O3/c1-11-7-8-12(13(20)9-11)18-14(21)15(22)19-17(5,6)10-16(2,3)4/h7-9,20H,10H2,1-6H3,(H,18,21)(H,19,22)
InChIKeyGIIZWICHAOKVAG-UHFFFAOYSA-N
XLogP2.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305
N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532766
N-(3,4-dimethylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108523109
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
N'-(2-hydroxy-4-methylphenyl)-N-(4-iodophenyl)oxamide
CID 108532032
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108529987
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N-(4-carbamoylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108530456

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108526288) is N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is GIIZWICHAOKVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-7-8-12(13(20)9-11)18-14(21)15(22)19-17(5,6)10-16(2,3)4/h7-9,20H,10H2,1-6H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108526288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).