2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide

C17H26N2O2 — CID 133127289

IUPAC2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC1(C)CN(CC(=O)NCCc2ccccc2)C[C@@]1(C)O
InChIInChI=1S/C17H26N2O2/c1-16(2)12-19(13-17(16,3)21)11-15(20)18-10-9-14-7-5-4-6-8-14/h4-8,21H,9-13H2,1-3H3,(H,18,20)/t17-/m1/s1
InChIKeyLDOFJLDKRCXNNH-QGZVFWFLSA-N
MW290.41 g/mol
LogP1.44
Rot. Bonds5

About 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide

2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 133127289) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID133127289
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC1(C)CN(CC(=O)NCCc2ccccc2)C[C@@]1(C)O
InChIInChI=1S/C17H26N2O2/c1-16(2)12-19(13-17(16,3)21)11-15(20)18-10-9-14-7-5-4-6-8-14/h4-8,21H,9-13H2,1-3H3,(H,18,20)/t17-/m1/s1
InChIKeyLDOFJLDKRCXNNH-QGZVFWFLSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 62656271
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
CID 155991932
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-[2-(4-fluorophenyl)ethyl]-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide
CID 50960793
2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 133112119
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide (CID 133127289) is 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide is CC1(C)CN(CC(=O)NCCc2ccccc2)C[C@@]1(C)O.
What is the InChIKey of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is LDOFJLDKRCXNNH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)12-19(13-17(16,3)21)11-15(20)18-10-9-14-7-5-4-6-8-14/h4-8,21H,9-13H2,1-3H3,(H,18,20)/t17-/m1/s1.
What are the key properties of 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 133127289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).