2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide

C16H24N2O2 — CID 62467967

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCCC1CCCO)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17(14-7-3-2-4-8-14)16(20)13-18-11-5-9-15(18)10-6-12-19/h2-4,7-8,15,19H,5-6,9-13H2,1H3
InChIKeyDQWYFJDGHBNILT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 62467967) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID62467967
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCCC1CCCO)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-17(14-7-3-2-4-8-14)16(20)13-18-11-5-9-15(18)10-6-12-19/h2-4,7-8,15,19H,5-6,9-13H2,1H3
InChIKeyDQWYFJDGHBNILT-UHFFFAOYSA-N
XLogP1.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 78942501
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60684693
N-(cyclopenten-1-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 55076318
3-[(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 97045106
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
N-[(2-fluorophenyl)methyl]-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110918997
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441165
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111496521

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide (CID 62467967) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCCC1CCCO)c1ccccc1.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is DQWYFJDGHBNILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(14-7-3-2-4-8-14)16(20)13-18-11-5-9-15(18)10-6-12-19/h2-4,7-8,15,19H,5-6,9-13H2,1H3.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 62467967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).