N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H21ClN2O — CID 119670651

IUPACN-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CCCN2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-6-13(8-11(10)2)16-14(17)9-12-4-3-7-15-12;/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17);1H
InChIKeyLFGDYVVWXVBMBP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.81
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119670651) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119670651
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(NC(=O)CC2CCCN2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-6-13(8-11(10)2)16-14(17)9-12-4-3-7-15-12;/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17);1H
InChIKeyLFGDYVVWXVBMBP-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
CID 119798990
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119792152
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119889613
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119670651) is N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccc(NC(=O)CC2CCCN2)cc1C.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is LFGDYVVWXVBMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-5-6-13(8-11(10)2)16-14(17)9-12-4-3-7-15-12;/h5-6,8,12,15H,3-4,7,9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119670651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).