N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

C15H22N2O — CID 61365638

IUPACN-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc(CN(C)C(=O)CC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)15(18)10-14-7-4-8-16-14/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3
InChIKeyLYPVPPCXXHFOGV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61365638) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61365638
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cccc(CN(C)C(=O)CC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)15(18)10-14-7-4-8-16-14/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3
InChIKeyLYPVPPCXXHFOGV-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364069
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119760008
N-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62210732
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-methyl-N-[(3-methylphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66429127

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 61365638) is N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is Cc1cccc(CN(C)C(=O)CC2CCCN2)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is LYPVPPCXXHFOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-3-6-13(9-12)11-17(2)15(18)10-14-7-4-8-16-14/h3,5-6,9,14,16H,4,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61365638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).