N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide

C17H22N2O3 — CID 110353088

IUPACN-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCC2)cc1)C1CCCO1
InChIInChI=1S/C17H22N2O3/c20-16(19-9-1-2-10-19)12-13-5-7-14(8-6-13)18-17(21)15-4-3-11-22-15/h5-8,15H,1-4,9-12H2,(H,18,21)
InChIKeyCHHVQMAUINZGIU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.97
Rot. Bonds4

About N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide

N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide (PubChem CID 110353088) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
PubChem CID110353088
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCC2)cc1)C1CCCO1
InChIInChI=1S/C17H22N2O3/c20-16(19-9-1-2-10-19)12-13-5-7-14(8-6-13)18-17(21)15-4-3-11-22-15/h5-8,15H,1-4,9-12H2,(H,18,21)
InChIKeyCHHVQMAUINZGIU-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]oxolane-2-carboxamide
CID 131950649
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CID 114310850
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108561805
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]oxane-2-carboxamide
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(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
CID 94118926
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
CID 119761357
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
N-[4-(2-hydroxyethyl)phenyl]oxane-2-carboxamide
CID 62212827
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide (CID 110353088) is N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide?
The InChIKey is CHHVQMAUINZGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(19-9-1-2-10-19)12-13-5-7-14(8-6-13)18-17(21)15-4-3-11-22-15/h5-8,15H,1-4,9-12H2,(H,18,21).
What are the key properties of N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide?
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 110353088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).