N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide

C20H30N2O — CID 124753121

IUPACN-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O/c23-20(14-17-6-4-5-7-17)21-12-10-19-11-13-22(16-19)15-18-8-2-1-3-9-18/h1-3,8-9,17,19H,4-7,10-16H2,(H,21,23)/t19-/m0/s1
InChIKeyLHSKRYBIQGVPBF-IBGZPJMESA-N
MW314.47 g/mol
LogP3.60
Rot. Bonds7

About N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide

N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide (PubChem CID 124753121) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
PubChem CID124753121
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide
SMILESO=C(CC1CCCC1)NCC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O/c23-20(14-17-6-4-5-7-17)21-12-10-19-11-13-22(16-19)15-18-8-2-1-3-9-18/h1-3,8-9,17,19H,4-7,10-16H2,(H,21,23)/t19-/m0/s1
InChIKeyLHSKRYBIQGVPBF-IBGZPJMESA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-4,4,4-trifluorobutanamide
CID 124758221
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
N-[2-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110986629
N-[2-(1-benzylpyrrolidin-3-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136948026
1-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 126450569
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-fluoro-6-methoxybenzamide
CID 125169754

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide?
The IUPAC name of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide (CID 124753121) is N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide is O=C(CC1CCCC1)NCC[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide?
The InChIKey is LHSKRYBIQGVPBF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(14-17-6-4-5-7-17)21-12-10-19-11-13-22(16-19)15-18-8-2-1-3-9-18/h1-3,8-9,17,19H,4-7,10-16H2,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide?
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide has a molecular weight of 314.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-2-cyclopentylacetamide is sourced from PubChem (CID 124753121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).