N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide

C16H24N2O2 — CID 119734952

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc(C)c1OCCNC(=O)CC1CCCN1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)16(12)20-10-9-18-15(19)11-14-7-4-8-17-14/h3,5-6,14,17H,4,7-11H2,1-2H3,(H,18,19)
InChIKeyFQTSVKBPEZGWIO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds6

About N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119734952) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119734952
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc(C)c1OCCNC(=O)CC1CCCN1
InChIInChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)16(12)20-10-9-18-15(19)11-14-7-4-8-17-14/h3,5-6,14,17H,4,7-11H2,1-2H3,(H,18,19)
InChIKeyFQTSVKBPEZGWIO-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937188
2-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
N-[2-(2-tert-butylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119780508
N-[3-(4-chloro-2-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119748101
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[3-(2-phenylethoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119739702
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119805095

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119734952) is N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide is Cc1cccc(C)c1OCCNC(=O)CC1CCCN1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is FQTSVKBPEZGWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-3-6-13(2)16(12)20-10-9-18-15(19)11-14-7-4-8-17-14/h3,5-6,14,17H,4,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119734952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).