[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone

C19H30N2O3 — CID 126813675

IUPAC[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
SMILESCCCC1(CO)CCN(C(=O)c2ccccc2OCCN(C)C)C1
InChIInChI=1S/C19H30N2O3/c1-4-9-19(15-22)10-11-21(14-19)18(23)16-7-5-6-8-17(16)24-13-12-20(2)3/h5-8,22H,4,9-15H2,1-3H3
InChIKeyWLTKKWWKWYXAPW-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.25
Rot. Bonds8

About [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone

[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone (PubChem CID 126813675) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
PubChem CID126813675
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone
SMILESCCCC1(CO)CCN(C(=O)c2ccccc2OCCN(C)C)C1
InChIInChI=1S/C19H30N2O3/c1-4-9-19(15-22)10-11-21(14-19)18(23)16-7-5-6-8-17(16)24-13-12-20(2)3/h5-8,22H,4,9-15H2,1-3H3
InChIKeyWLTKKWWKWYXAPW-UHFFFAOYSA-N
XLogP2.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone (CID 126813675) is [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone is CCCC1(CO)CCN(C(=O)c2ccccc2OCCN(C)C)C1.
What is the InChIKey of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
The InChIKey is WLTKKWWKWYXAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-9-19(15-22)10-11-21(14-19)18(23)16-7-5-6-8-17(16)24-13-12-20(2)3/h5-8,22H,4,9-15H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone?
[2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethoxy]phenyl]-[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 126813675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).