2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

C21H26N2O2 — CID 98482252

IUPAC2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(17-7-4-3-5-8-17)22-21(24)15-23-14-6-9-20(23)18-10-12-19(25-2)13-11-18/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1
InChIKeyNTSMQPCQMKQIIL-UZLBHIALSA-N
MW338.45 g/mol
LogP3.71
Rot. Bonds6

About 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 98482252) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID98482252
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESCOc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(17-7-4-3-5-8-17)22-21(24)15-23-14-6-9-20(23)18-10-12-19(25-2)13-11-18/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1
InChIKeyNTSMQPCQMKQIIL-UZLBHIALSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 98430569
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 124739814
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9434707
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9033490
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9033481
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 98483129
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 8709609

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 98482252) is 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is COc1ccc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is NTSMQPCQMKQIIL-UZLBHIALSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(17-7-4-3-5-8-17)22-21(24)15-23-14-6-9-20(23)18-10-12-19(25-2)13-11-18/h3-5,7-8,10-13,16,20H,6,9,14-15H2,1-2H3,(H,22,24)/t16-,20+/m1/s1.
What are the key properties of 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 98482252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).