N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide

C18H28N2O3 — CID 71787632

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-11-9-12(2)15(13(3)10-11)20-17(23)16(22)19-8-7-14(21)18(4,5)6/h9-10,14,21H,7-8H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyQXACZJPIWFZQGF-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.46
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide

N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 71787632) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID71787632
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)NCCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H28N2O3/c1-11-9-12(2)15(13(3)10-11)20-17(23)16(22)19-8-7-14(21)18(4,5)6/h9-10,14,21H,7-8H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyQXACZJPIWFZQGF-UHFFFAOYSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide (CID 71787632) is N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)NCCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is QXACZJPIWFZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-11-9-12(2)15(13(3)10-11)20-17(23)16(22)19-8-7-14(21)18(4,5)6/h9-10,14,21H,7-8H2,1-6H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide?
N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 320.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 71787632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).