N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide

C26H34N2O2 — CID 11697139

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C26H34N2O2/c1-27(18-22-16-17-28(20-22)19-21-10-4-2-5-11-21)25(29)26(30,24-14-8-9-15-24)23-12-6-3-7-13-23/h2-7,10-13,22,24,30H,8-9,14-20H2,1H3
InChIKeyCNMNORQCXDRDOY-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.04
Rot. Bonds7

About N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide (PubChem CID 11697139) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
PubChem CID11697139
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide
SMILESCN(CC1CCN(Cc2ccccc2)C1)C(=O)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C26H34N2O2/c1-27(18-22-16-17-28(20-22)19-21-10-4-2-5-11-21)25(29)26(30,24-14-8-9-15-24)23-12-6-3-7-13-23/h2-7,10-13,22,24,30H,8-9,14-20H2,1H3
InChIKeyCNMNORQCXDRDOY-UHFFFAOYSA-N
XLogP4.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
N-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-2-cyclohexyl-2-hydroxy-N-methyl-2-phenylacetamide;hydrochloride
CID 174297892
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
1-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119884983
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-5-chloro-N-methylpyrimidine-4-carboxamide
CID 124609847
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethyl-2-methylpropanamide;dihydrochloride
CID 119897569
1-(1-benzylpiperidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672274

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide (CID 11697139) is N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide is CN(CC1CCN(Cc2ccccc2)C1)C(=O)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide?
The InChIKey is CNMNORQCXDRDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-27(18-22-16-17-28(20-22)19-21-10-4-2-5-11-21)25(29)26(30,24-14-8-9-15-24)23-12-6-3-7-13-23/h2-7,10-13,22,24,30H,8-9,14-20H2,1H3.
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide has a molecular weight of 406.57 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-2-cyclopentyl-2-hydroxy-N-methyl-2-phenylacetamide is sourced from PubChem (CID 11697139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).