N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide

C18H28N2O3 — CID 111490720

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)14-6-8-15(9-7-14)20-17(23)16(22)19-11-18(4,5)10-13(3)21/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyQWKDDKXXQZSIKN-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.66
Rot. Bonds6

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

N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide (PubChem CID 111490720) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
PubChem CID111490720
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide
SMILESCC(O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-12(2)14-6-8-15(9-7-14)20-17(23)16(22)19-11-18(4,5)10-13(3)21/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyQWKDDKXXQZSIKN-UHFFFAOYSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)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'-(3,4-dimethylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490702
N'-(4-butylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490731
N'-(2,4-dichlorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490749
N-(4-hydroxy-2,2-dimethylpentyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 111490713
N'-(2,6-difluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490747
N-(2-hydroxy-4-methoxy-2-methylbutyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 134161720
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea
CID 111473397
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(4-methylphenyl)propyl]urea
CID 111504028

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide (CID 111490720) is N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide is CC(O)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide?
The InChIKey is QWKDDKXXQZSIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)14-6-8-15(9-7-14)20-17(23)16(22)19-11-18(4,5)10-13(3)21/h6-9,12-13,21H,10-11H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide has a molecular weight of 320.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-N'-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111490720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).