2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide

C15H22N2O — CID 98571226

IUPAC2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCC[C@H]1CCNC1
InChIInChI=1S/C15H22N2O/c1-12-4-2-3-5-14(12)10-15(18)17-9-7-13-6-8-16-11-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyOTRVVGDMRWLSJM-CYBMUJFWSA-N
MW246.35 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide

2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide (PubChem CID 98571226) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
PubChem CID98571226
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide
SMILESCc1ccccc1CC(=O)NCC[C@H]1CCNC1
InChIInChI=1S/C15H22N2O/c1-12-4-2-3-5-14(12)10-15(18)17-9-7-13-6-8-16-11-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyOTRVVGDMRWLSJM-CYBMUJFWSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 54943798
2-(2,3-difluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537007
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
2-[2-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535561
2-(2-hydroxyphenyl)-N-(2-piperidin-4-ylethyl)acetamide
CID 80740941
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-methyl-N-[4-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119536547
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide (CID 98571226) is 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide is Cc1ccccc1CC(=O)NCC[C@H]1CCNC1.
What is the InChIKey of 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide?
The InChIKey is OTRVVGDMRWLSJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-2-3-5-14(12)10-15(18)17-9-7-13-6-8-16-11-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide?
2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[2-[(3R)-pyrrolidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 98571226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).