2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide

C15H21NO2 — CID 56922703

IUPAC2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(12(2)8-11)9-15(17)16-10-14-4-3-7-18-14/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKeyYXMWECHQYKCSRC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide

2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 56922703) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID56922703
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(12(2)8-11)9-15(17)16-10-14-4-3-7-18-14/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKeyYXMWECHQYKCSRC-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,4-dimethylphenyl)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 133200000
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111139027
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 108790401
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110771074
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 56922703) is 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(CC(=O)NCC2CCCO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YXMWECHQYKCSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-13(12(2)8-11)9-15(17)16-10-14-4-3-7-18-14/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 56922703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).