1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C13H16N2O4 — CID 168697856

IUPAC1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCCO)cc2)C1
InChIInChI=1S/C13H16N2O4/c14-13(18)9-7-12(17)15(8-9)10-1-3-11(4-2-10)19-6-5-16/h1-4,9,16H,5-8H2,(H2,14,18)
InChIKeyYWFWOKDWTIVXQG-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.10
Rot. Bonds5

About 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697856) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697856
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCCO)cc2)C1
InChIInChI=1S/C13H16N2O4/c14-13(18)9-7-12(17)15(8-9)10-1-3-11(4-2-10)19-6-5-16/h1-4,9,16H,5-8H2,(H2,14,18)
InChIKeyYWFWOKDWTIVXQG-UHFFFAOYSA-N
XLogP-0.10
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168695945
(3S)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1079958
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
CID 95165446
(3R)-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 1079900
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
S-[[1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668263
1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337
1-[4-(2-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696853

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168697856) is 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(OCCO)cc2)C1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YWFWOKDWTIVXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-13(18)9-7-12(17)15(8-9)10-1-3-11(4-2-10)19-6-5-16/h1-4,9,16H,5-8H2,(H2,14,18).
What are the key properties of 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).