N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

C17H26N2O3 — CID 111490702

IUPACN'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(C)CC(C)O)cc1C
InChIInChI=1S/C17H26N2O3/c1-11-6-7-14(8-12(11)2)19-16(22)15(21)18-10-17(4,5)9-13(3)20/h6-8,13,20H,9-10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyPJYVVMOWLITCCO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.16
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (PubChem CID 111490702) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
PubChem CID111490702
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC(C)(C)CC(C)O)cc1C
InChIInChI=1S/C17H26N2O3/c1-11-6-7-14(8-12(11)2)19-16(22)15(21)18-10-17(4,5)9-13(3)20/h6-8,13,20H,9-10H2,1-5H3,(H,18,21)(H,19,22)
InChIKeyPJYVVMOWLITCCO-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
1-(3-bromo-4-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473570
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490731
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490747
N'-(3,4-dimethylphenyl)-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]oxamide
CID 95983351
1-(5-bromo-2-methylphenyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111473854
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (CID 111490702) is N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is Cc1ccc(NC(=O)C(=O)NCC(C)(C)CC(C)O)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The InChIKey is PJYVVMOWLITCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-6-7-14(8-12(11)2)19-16(22)15(21)18-10-17(4,5)9-13(3)20/h6-8,13,20H,9-10H2,1-5H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is sourced from PubChem (CID 111490702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).