N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide

C20H31N3O — CID 95143982

IUPACN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CCCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C20H31N3O/c1-16(2)19-9-6-11-23(19)15-20(24)21-13-17-10-12-22(14-17)18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,21,24)/t17-,19+/m0/s1
InChIKeyYXYJESICWVJGNI-PKOBYXMFSA-N
MW329.49 g/mol
LogP2.75
Rot. Bonds6

About N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 95143982) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
PubChem CID95143982
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CCCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C20H31N3O/c1-16(2)19-9-6-11-23(19)15-20(24)21-13-17-10-12-22(14-17)18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,21,24)/t17-,19+/m0/s1
InChIKeyYXYJESICWVJGNI-PKOBYXMFSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.75
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-[[(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-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124787391
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136
(2S)-1-(2-methylpropyl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidine-2-carboxamide
CID 124824586
1-(2-methylpropyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 51125431
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-methyl-1-[(1-phenylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 111123983
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide (CID 95143982) is N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide is CC(C)[C@H]1CCCN1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is YXYJESICWVJGNI-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16(2)19-9-6-11-23(19)15-20(24)21-13-17-10-12-22(14-17)18-7-4-3-5-8-18/h3-5,7-8,16-17,19H,6,9-15H2,1-2H3,(H,21,24)/t17-,19+/m0/s1.
What are the key properties of N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide?
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95143982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).