N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

C15H22N2O — CID 110857805

IUPACN-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCCc1ccc(NC(=O)CC2CCCN2C)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-6-8-13(9-7-12)16-15(18)11-14-5-4-10-17(14)2/h6-9,14H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyYUTOYXJUFSFNOM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.67
Rot. Bonds4

About N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide

N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (PubChem CID 110857805) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
PubChem CID110857805
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
SMILESCCc1ccc(NC(=O)CC2CCCN2C)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-6-8-13(9-7-12)16-15(18)11-14-5-4-10-17(14)2/h6-9,14H,3-5,10-11H2,1-2H3,(H,16,18)
InChIKeyYUTOYXJUFSFNOM-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110856788
N-(4-acetylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110861173
N-(4-tert-butylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110858473
N-(4-methylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110856796
N-(3,4-dimethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110857374
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
N-[4-[(1-methylpyrrolidin-2-yl)methyl]phenyl]acetamide
CID 23452543
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
N-(2-ethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857732
N-(4-ethylphenyl)-2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16836945
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide (CID 110857805) is N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is CCc1ccc(NC(=O)CC2CCCN2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
The InChIKey is YUTOYXJUFSFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-6-8-13(9-7-12)16-15(18)11-14-5-4-10-17(14)2/h6-9,14H,3-5,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide?
N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide is sourced from PubChem (CID 110857805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).