N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide

C16H24N2O — CID 51091141

IUPACN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-4-18(14(3)19)16-10-11-17(12-16)13(2)15-8-6-5-7-9-15/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyAQJCTIIATUSJFQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.69
Rot. Bonds4

About N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide

N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 51091141) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
PubChem CID51091141
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCCN(C(C)=O)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-4-18(14(3)19)16-10-11-17(12-16)13(2)15-8-6-5-7-9-15/h5-9,13,16H,4,10-12H2,1-3H3
InChIKeyAQJCTIIATUSJFQ-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
2-[2-[ethyl-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]sulfanylacetamide
CID 98763399
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
N-ethyl-3-methyl-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 94811047
4-bromo-N-ethyl-3,5-dimethoxy-N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]benzamide
CID 98691639
N-ethyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 52525533
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
CID 98728365
N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-(triazol-1-yl)propanamide
CID 98755640
1-ethyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 96529450
N-[4-[[ethyl-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 96537032
N-[4-[[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 98773798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide (CID 51091141) is N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide is CCN(C(C)=O)C1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is AQJCTIIATUSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18(14(3)19)16-10-11-17(12-16)13(2)15-8-6-5-7-9-15/h5-9,13,16H,4,10-12H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide?
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 51091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).