N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide

C17H27NO2 — CID 111486402

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCC(C)(O)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)17(6,20)11-18-15(19)16(4,5)14-9-7-13(3)8-10-14/h7-10,12,20H,11H2,1-6H3,(H,18,19)
InChIKeyLZWURBFCOOZUSL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.80
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide (PubChem CID 111486402) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide
PubChem CID111486402
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCC(C)(O)C(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)17(6,20)11-18-15(19)16(4,5)14-9-7-13(3)8-10-14/h7-10,12,20H,11H2,1-6H3,(H,18,19)
InChIKeyLZWURBFCOOZUSL-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)-alpha-methyl-4-(2-methylpropyl)benzeneacetamide
CID 71261
N-butyl-2-(4-methylphenyl)acetamide
CID 1825321
N-ethyl-1-phenylcyclopentanecarboxamide
CID 778764
2-(4-tert-butylphenyl)-N-{[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl}acetamide
CID 25130211
4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
CID 51354308
3-(2-p-Tolyl-acetylamino)-propionic acid
CID 919508
N-(cyclohexylmethyl)-2-(4-methylphenyl)acetamide
CID 6465068
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylbutanamide
CID 2932505
2-(4-methylphenyl)-N-(2-methylpropyl)acetamide
CID 890076
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
E-5050
CID 129506
N-(2-hydroxyethyl)-1-phenylcyclopentanecarboxamide
CID 660195

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide (CID 111486402) is N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)(C)C(=O)NCC(C)(O)C(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide?
The InChIKey is LZWURBFCOOZUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)17(6,20)11-18-15(19)16(4,5)14-9-7-13(3)8-10-14/h7-10,12,20H,11H2,1-6H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 111486402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).