N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide

C16H24N2O2 — CID 119704713

IUPACN-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(C(C)N(C)C(=O)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-6-8-15(20-3)9-7-13)18(2)16(19)11-14-5-4-10-17-14/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyROKBZBOMHYTMKE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 119704713) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID119704713
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCOc1ccc(C(C)N(C)C(=O)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O2/c1-12(13-6-8-15(20-3)9-7-13)18(2)16(19)11-14-5-4-10-17-14/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyROKBZBOMHYTMKE-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
N-benzyl-N-(4-methoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 119691210
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365041
N-methyl-N-pentan-3-yl-2-pyrrolidin-2-ylacetamide
CID 61371384
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
2-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]acetaldehyde
CID 165107258
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide (CID 119704713) is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide is COc1ccc(C(C)N(C)C(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is ROKBZBOMHYTMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-6-8-15(20-3)9-7-13)18(2)16(19)11-14-5-4-10-17-14/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119704713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).