N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide

C16H24N2O — CID 61370210

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCCc1ccc(CN(C)C(=O)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-3-13-6-8-14(9-7-13)12-18(2)16(19)11-15-5-4-10-17-15/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyNBSUQPJXJXVYAC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide

N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 61370210) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID61370210
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCCc1ccc(CN(C)C(=O)CC2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-3-13-6-8-14(9-7-13)12-18(2)16(19)11-15-5-4-10-17-15/h6-9,15,17H,3-5,10-12H2,1-2H3
InChIKeyNBSUQPJXJXVYAC-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119896878
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119717164
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide (CID 61370210) is N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide is CCc1ccc(CN(C)C(=O)CC2CCCN2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is NBSUQPJXJXVYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-13-6-8-14(9-7-13)12-18(2)16(19)11-15-5-4-10-17-15/h6-9,15,17H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61370210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).