2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide

C24H31N3O — CID 124787391

IUPAC2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CN1CCC[C@@H]1Cc1ccccc1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C24H31N3O/c28-24(19-26-14-7-12-23(26)16-20-8-3-1-4-9-20)25-17-21-13-15-27(18-21)22-10-5-2-6-11-22/h1-6,8-11,21,23H,7,12-19H2,(H,25,28)/t21-,23-/m1/s1
InChIKeyOVFVIWQCJGMENQ-FYYLOGMGSA-N
MW377.53 g/mol
LogP3.34
Rot. Bonds7

About 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide

2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 124787391) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID124787391
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CN1CCC[C@@H]1Cc1ccccc1)NC[C@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C24H31N3O/c28-24(19-26-14-7-12-23(26)16-20-8-3-1-4-9-20)25-17-21-13-15-27(18-21)22-10-5-2-6-11-22/h1-6,8-11,21,23H,7,12-19H2,(H,25,28)/t21-,23-/m1/s1
InChIKeyOVFVIWQCJGMENQ-FYYLOGMGSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
CID 95143982
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136
2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98756657
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55832362
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 97082676
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 100880960
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 94382188
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 35564106
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55652171

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 124787391) is 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is O=C(CN1CCC[C@@H]1Cc1ccccc1)NC[C@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is OVFVIWQCJGMENQ-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H31N3O/c28-24(19-26-14-7-12-23(26)16-20-8-3-1-4-9-20)25-17-21-13-15-27(18-21)22-10-5-2-6-11-22/h1-6,8-11,21,23H,7,12-19H2,(H,25,28)/t21-,23-/m1/s1.
What are the key properties of 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 377.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 124787391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).