2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide

C18H26N2O2 — CID 111123150

IUPAC2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(CN1CC[C@H](O)C1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O2/c21-16-8-11-20(12-16)13-17(22)19-14-18(9-4-5-10-18)15-6-2-1-3-7-15/h1-3,6-7,16,21H,4-5,8-14H2,(H,19,22)/t16-/m0/s1
InChIKeyDZSMTNMIGQFOQM-INIZCTEOSA-N
MW302.42 g/mol
LogP1.68
Rot. Bonds5

About 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide (PubChem CID 111123150) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
PubChem CID111123150
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESO=C(CN1CC[C@H](O)C1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C18H26N2O2/c21-16-8-11-20(12-16)13-17(22)19-14-18(9-4-5-10-18)15-6-2-1-3-7-15/h1-3,6-7,16,21H,4-5,8-14H2,(H,19,22)/t16-/m0/s1
InChIKeyDZSMTNMIGQFOQM-INIZCTEOSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 134038296
2-[(1R,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptan-3-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 124884559
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-[3-(methylamino)piperidin-1-yl]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 119920063
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 71932300
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37461814
N-[(1-phenylcyclopentyl)methyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841683
1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[(1-phenylcyclohexyl)methyl]acetamide
CID 78899021
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide (CID 111123150) is 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide is O=C(CN1CC[C@H](O)C1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
The InChIKey is DZSMTNMIGQFOQM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-16-8-11-20(12-16)13-17(22)19-14-18(9-4-5-10-18)15-6-2-1-3-7-15/h1-3,6-7,16,21H,4-5,8-14H2,(H,19,22)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide?
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 111123150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).