N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide

C15H22N2O — CID 110857203

IUPACN-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(C)C2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-4-5-14(12(2)8-11)16-15(18)9-13-6-7-17(3)10-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyGSMMXGSCNRFNFJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.58
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide

N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 110857203) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID110857203
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(C)C2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-11-4-5-14(12(2)8-11)16-15(18)9-13-6-7-17(3)10-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyGSMMXGSCNRFNFJ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110859269
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
2-(1-methylpiperidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110858213
N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110861482
2-cyclopentylsulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 6456804
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide (CID 110857203) is N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide is Cc1ccc(NC(=O)CC2CCN(C)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is GSMMXGSCNRFNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-5-14(12(2)8-11)16-15(18)9-13-6-7-17(3)10-13/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110857203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).