3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide

C15H22N2O2 — CID 115647931

IUPAC3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
SMILESO=C(CCN1CCC(CCO)C1)Nc1ccccc1
InChIInChI=1S/C15H22N2O2/c18-11-8-13-6-9-17(12-13)10-7-15(19)16-14-4-2-1-3-5-14/h1-5,13,18H,6-12H2,(H,16,19)
InChIKeyBTSPQZCBUDHDOR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.72
Rot. Bonds6

About 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide (PubChem CID 115647931) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
PubChem CID115647931
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
SMILESO=C(CCN1CCC(CCO)C1)Nc1ccccc1
InChIInChI=1S/C15H22N2O2/c18-11-8-13-6-9-17(12-13)10-7-15(19)16-14-4-2-1-3-5-14/h1-5,13,18H,6-12H2,(H,16,19)
InChIKeyBTSPQZCBUDHDOR-UHFFFAOYSA-N
XLogP1.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797111
N-(3-amino-2-methylphenyl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797087
3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-phenylpropanamide
CID 81491276
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648071
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
N-(3-cyanophenyl)-3-(3-propylpyrrolidin-1-yl)propanamide
CID 115667757
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide (CID 115647931) is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide is O=C(CCN1CCC(CCO)C1)Nc1ccccc1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide?
The InChIKey is BTSPQZCBUDHDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-11-8-13-6-9-17(12-13)10-7-15(19)16-14-4-2-1-3-5-14/h1-5,13,18H,6-12H2,(H,16,19).
What are the key properties of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide?
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 115647931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).