N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide

C19H30N2O3 — CID 111490731

IUPACN'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCC(C)(C)CC(C)O)cc1
InChIInChI=1S/C19H30N2O3/c1-5-6-7-15-8-10-16(11-9-15)21-18(24)17(23)20-13-19(3,4)12-14(2)22/h8-11,14,22H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWYBNNSWYYISAEK-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.88
Rot. Bonds8

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

N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (PubChem CID 111490731) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.

Molecular Properties

Compound NameN'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
PubChem CID111490731
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NCC(C)(C)CC(C)O)cc1
InChIInChI=1S/C19H30N2O3/c1-5-6-7-15-8-10-16(11-9-15)21-18(24)17(23)20-13-19(3,4)12-14(2)22/h8-11,14,22H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyWYBNNSWYYISAEK-UHFFFAOYSA-N
XLogP2.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 111490720
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490747
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
N'-(4-dodecylphenyl)oxamide
CID 118096540
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The IUPAC name of N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide (CID 111490731) is N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide.
What is the SMILES notation for N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The canonical SMILES for N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is CCCCc1ccc(NC(=O)C(=O)NCC(C)(C)CC(C)O)cc1.
What is the InChIKey of N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
The InChIKey is WYBNNSWYYISAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-6-7-15-8-10-16(11-9-15)21-18(24)17(23)20-13-19(3,4)12-14(2)22/h8-11,14,22H,5-7,12-13H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide?
N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide has a molecular weight of 334.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide is sourced from PubChem (CID 111490731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).