N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide

C17H22N2O — CID 15014567

IUPACN-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide
SMILESCC(=O)N(C)C(C#CCN1CCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-15(20)18(2)17(16-9-4-3-5-10-16)11-8-14-19-12-6-7-13-19/h3-5,9-10,17H,6-7,12-14H2,1-2H3
InChIKeyWQWPUTDMTVRSDR-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.31
Rot. Bonds3

About N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide

N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide (PubChem CID 15014567) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide
PubChem CID15014567
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide
SMILESCC(=O)N(C)C(C#CCN1CCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-15(20)18(2)17(16-9-4-3-5-10-16)11-8-14-19-12-6-7-13-19/h3-5,9-10,17H,6-7,12-14H2,1-2H3
InChIKeyWQWPUTDMTVRSDR-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The IUPAC name of N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide (CID 15014567) is N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide.
What is the SMILES notation for N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The canonical SMILES for N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide is CC(=O)N(C)C(C#CCN1CCCC1)c1ccccc1.
What is the InChIKey of N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The InChIKey is WQWPUTDMTVRSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-15(20)18(2)17(16-9-4-3-5-10-16)11-8-14-19-12-6-7-13-19/h3-5,9-10,17H,6-7,12-14H2,1-2H3.
What are the key properties of N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenyl-4-pyrrolidin-1-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 15014567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).