2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide

C15H22N2O — CID 55249382

IUPAC2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCc1ccccc1CC(=O)NCCC1CCNC1
InChIInChI=1S/C15H22N2O/c1-12-4-2-3-5-14(12)10-15(18)17-9-7-13-6-8-16-11-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyOTRVVGDMRWLSJM-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.65
Rot. Bonds5

About 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 55249382) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID55249382
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESCc1ccccc1CC(=O)NCCC1CCNC1
InChIInChI=1S/C15H22N2O/c1-12-4-2-3-5-14(12)10-15(18)17-9-7-13-6-8-16-11-13/h2-5,13,16H,6-11H2,1H3,(H,17,18)
InChIKeyOTRVVGDMRWLSJM-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 55249382) is 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide is Cc1ccccc1CC(=O)NCCC1CCNC1.
What is the InChIKey of 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is OTRVVGDMRWLSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-2-3-5-14(12)10-15(18)17-9-7-13-6-8-16-11-13/h2-5,13,16H,6-11H2,1H3,(H,17,18).
What are the key properties of 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 55249382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).