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

C17H22N2O — CID 15014569

IUPACN-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
SMILESCN(CC#CCN1CCCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-18(11-5-6-12-19-13-7-8-14-19)17(20)15-16-9-3-2-4-10-16/h2-4,9-10H,7-8,11-15H2,1H3
InChIKeyPBNGWTCNUJZZQE-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.79
Rot. Bonds4

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

N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide (PubChem CID 15014569) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
PubChem CID15014569
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
SMILESCN(CC#CCN1CCCC1)C(=O)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c1-18(11-5-6-12-19-13-7-8-14-19)17(20)15-16-9-3-2-4-10-16/h2-4,9-10H,7-8,11-15H2,1H3
InChIKeyPBNGWTCNUJZZQE-UHFFFAOYSA-N
XLogP1.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.79
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-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The IUPAC name of N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide (CID 15014569) is N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide is CN(CC#CCN1CCCC1)C(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The InChIKey is PBNGWTCNUJZZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18(11-5-6-12-19-13-7-8-14-19)17(20)15-16-9-3-2-4-10-16/h2-4,9-10H,7-8,11-15H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide has a molecular weight of 270.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 15014569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).