N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide

C19H28N2O2 — CID 110127428

IUPACN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C19H28N2O2/c1-14-7-3-4-8-15(14)13-18(22)20(2)16-9-10-17(19(16)23)21-11-5-6-12-21/h3-4,7-8,16-17,19,23H,5-6,9-13H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyXXIXKBMLZXHYST-ZHALLVOQSA-N
MW316.44 g/mol
LogP1.98
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide

N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide (PubChem CID 110127428) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide
PubChem CID110127428
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C19H28N2O2/c1-14-7-3-4-8-15(14)13-18(22)20(2)16-9-10-17(19(16)23)21-11-5-6-12-21/h3-4,7-8,16-17,19,23H,5-6,9-13H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyXXIXKBMLZXHYST-ZHALLVOQSA-N
XLogP1.98
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
CID 110127437
N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2-thionitrosophenyl)acetamide
CID 70693910
N-methyl-2-phenyl-N-[(1S,2S,4S)-4-propoxy-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 166138465
N-methyl-2-phenylsulfanyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 18603294
2-(1-benzothiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 22418285
2-(1H-inden-4-yl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 23571636
2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
CID 110127449
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 110128017
2-(1-benzothiophen-4-yl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
CID 14040470
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
CID 110127432

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide (CID 110127428) is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide?
The InChIKey is XXIXKBMLZXHYST-ZHALLVOQSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-7-3-4-8-15(14)13-18(22)20(2)16-9-10-17(19(16)23)21-11-5-6-12-21/h3-4,7-8,16-17,19,23H,5-6,9-13H2,1-2H3/t16-,17-,19-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide?
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide has a molecular weight of 316.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 110127428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).