N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide

C14H20N2O — CID 24361

IUPACN-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCCC1
InChIInChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)
InChIKeyOYCGKECKIVYHTN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide

N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 24361) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID24361
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCCC1
InChIInChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17)
InChIKeyOYCGKECKIVYHTN-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide (CID 24361) is N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide is Cc1cccc(C)c1NC(=O)CN1CCCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is OYCGKECKIVYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16/h5-7H,3-4,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide?
N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 24361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).