N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H23ClN2O — CID 119681708

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-6-3-4-7-13(12)11-17(2)15(18)10-14-8-5-9-16-14;/h3-4,6-7,14,16H,5,8-11H2,1-2H3;1H
InChIKeyCLDQXEBKECWONM-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.52
Rot. Bonds4

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

N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119681708) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119681708
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccccc1CN(C)C(=O)CC1CCCN1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-6-3-4-7-13(12)11-17(2)15(18)10-14-8-5-9-16-14;/h3-4,6-7,14,16H,5,8-11H2,1-2H3;1H
InChIKeyCLDQXEBKECWONM-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N-methyl-N-(pyridin-2-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372384
N-methyl-N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61365638
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776524
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172
N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
N-methyl-N-(pyridin-4-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372383
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365245
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119696306
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119681708) is N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccccc1CN(C)C(=O)CC1CCCN1.Cl.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is CLDQXEBKECWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-6-3-4-7-13(12)11-17(2)15(18)10-14-8-5-9-16-14;/h3-4,6-7,14,16H,5,8-11H2,1-2H3;1H.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119681708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).