N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide

C14H20N2O — CID 55027680

IUPACN-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
SMILESCc1ccc(CC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-3-5-12(6-4-11)9-14(17)16(2)13-7-8-15-10-13/h3-6,13,15H,7-10H2,1-2H3
InChIKeyKMQUYXHLQRWEJB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.36
Rot. Bonds3

About N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide

N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide (PubChem CID 55027680) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
PubChem CID55027680
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
SMILESCc1ccc(CC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-3-5-12(6-4-11)9-14(17)16(2)13-7-8-15-10-13/h3-6,13,15H,7-10H2,1-2H3
InChIKeyKMQUYXHLQRWEJB-UHFFFAOYSA-N
XLogP1.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553066
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-methyl-N-piperidin-4-yl-2-pyridin-4-ylacetamide
CID 43602089
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
CID 119550358
N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide (CID 55027680) is N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide is Cc1ccc(CC(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is KMQUYXHLQRWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-5-12(6-4-11)9-14(17)16(2)13-7-8-15-10-13/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide?
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 232.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 55027680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).