N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C18H26ClN3O3 — CID 119713879

IUPACN-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C18H25N3O3.ClH/c22-17(12-14-6-4-8-19-14)20-15-5-3-7-16(11-15)24-13-18(23)21-9-1-2-10-21;/h3,5,7,11,14,19H,1-2,4,6,8-10,12-13H2,(H,20,22);1H
InChIKeyHDIJXXRDDUEOCS-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119713879) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119713879
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C18H25N3O3.ClH/c22-17(12-14-6-4-8-19-14)20-15-5-3-7-16(11-15)24-13-18(23)21-9-1-2-10-21;/h3,5,7,11,14,19H,1-2,4,6,8-10,12-13H2,(H,20,22);1H
InChIKeyHDIJXXRDDUEOCS-UHFFFAOYSA-N
XLogP2.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(2-fluoroethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809010
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119713721
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119713835
4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119713879) is N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is HDIJXXRDDUEOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c22-17(12-14-6-4-8-19-14)20-15-5-3-7-16(11-15)24-13-18(23)21-9-1-2-10-21;/h3,5,7,11,14,19H,1-2,4,6,8-10,12-13H2,(H,20,22);1H.
What are the key properties of N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119713879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).