2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

C16H23NO2 — CID 113198023

IUPAC2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-12-6-8-13(9-7-12)16(2,3)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyWDTSKHATIPNKCQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide

2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 113198023) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID113198023
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(C(C)(C)C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-12-6-8-13(9-7-12)16(2,3)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyWDTSKHATIPNKCQ-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 113214152
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
6-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110264404
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
2-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-tert-butyl-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2947452
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
2-amino-2-methyl-N-(oxan-2-ylmethyl)propanamide;hydrochloride
CID 119300308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide (CID 113198023) is 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(C(C)(C)C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is WDTSKHATIPNKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-8-13(9-7-12)16(2,3)15(18)17-11-14-5-4-10-19-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide?
2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 113198023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).