N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide

C14H19NO2 — CID 47209277

IUPACN-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2CCCO2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)15-14(16)9-13-4-3-5-17-13/h6-8,13H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyAMIJAFRPVMKGNB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide

N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide (PubChem CID 47209277) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
PubChem CID47209277
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)CC2CCCO2)c1
InChIInChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)15-14(16)9-13-4-3-5-17-13/h6-8,13H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyAMIJAFRPVMKGNB-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-2-(oxolan-2-yl)acetamide
CID 107578185
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
3,5-dimethyl-2-[[2-(oxolan-2-yl)acetyl]amino]benzoic acid
CID 65156897
N-(3,5-dimethylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149682
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
N-(4-bromo-3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 103824726
N-(3-methyl-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155493
4-[[2-(3,5-dimethylanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836660
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide (CID 47209277) is N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide is Cc1cc(C)cc(NC(=O)CC2CCCO2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is AMIJAFRPVMKGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-6-11(2)8-12(7-10)15-14(16)9-13-4-3-5-17-13/h6-8,13H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 47209277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).