N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide

C14H20N2O — CID 17379650

IUPACN-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(NC(=O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(13-7-3-2-4-8-13)15-14(17)11-16-9-5-6-10-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,15,17)
InChIKeyXKBUNLAOZIGDNT-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds4

About N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide

N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 17379650) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide
PubChem CID17379650
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(NC(=O)CN1CCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-12(13-7-3-2-4-8-13)15-14(17)11-16-9-5-6-10-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,15,17)
InChIKeyXKBUNLAOZIGDNT-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide (CID 17379650) is N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide is CC(NC(=O)CN1CCCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is XKBUNLAOZIGDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(13-7-3-2-4-8-13)15-14(17)11-16-9-5-6-10-16/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,15,17).
What are the key properties of N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide?
N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 232.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 17379650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).