N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

C18H24N2O4 — CID 113182657

IUPACN-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(=O)N(CC2CCCO2)C1
InChIInChI=1S/C18H24N2O4/c1-23-16-7-3-2-5-13(16)10-19-18(22)14-9-17(21)20(11-14)12-15-6-4-8-24-15/h2-3,5,7,14-15H,4,6,8-12H2,1H3,(H,19,22)
InChIKeyWXVLTQOXWFISAH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.34
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 113182657) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID113182657
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CC(=O)N(CC2CCCO2)C1
InChIInChI=1S/C18H24N2O4/c1-23-16-7-3-2-5-13(16)10-19-18(22)14-9-17(21)20(11-14)12-15-6-4-8-24-15/h2-3,5,7,14-15H,4,6,8-12H2,1H3,(H,19,22)
InChIKeyWXVLTQOXWFISAH-UHFFFAOYSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182761
5-oxo-1-(oxolan-2-ylmethyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113182664
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
N-(4-methylphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182716
(3S)-1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1372393
1-(4-ethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2889210
1-[4-(diethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113189741
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(2,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17152009
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 113182657) is N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is COc1ccccc1CNC(=O)C1CC(=O)N(CC2CCCO2)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WXVLTQOXWFISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-23-16-7-3-2-5-13(16)10-19-18(22)14-9-17(21)20(11-14)12-15-6-4-8-24-15/h2-3,5,7,14-15H,4,6,8-12H2,1H3,(H,19,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).