N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide

C15H21NO3 — CID 111424625

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(2)8-13(9-17)16-15(19)14(18)12-6-4-11(3)5-7-12/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyMDJKXAPZDXIRCH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds6

About N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide

N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 111424625) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID111424625
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC(CO)CC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(2)8-13(9-17)16-15(19)14(18)12-6-4-11(3)5-7-12/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyMDJKXAPZDXIRCH-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide (CID 111424625) is N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC(CO)CC(C)C)cc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is MDJKXAPZDXIRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)8-13(9-17)16-15(19)14(18)12-6-4-11(3)5-7-12/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 111424625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).