1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 53181894

IUPAC1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C16H22N2O3/c1-12-3-5-13(6-4-12)10-17-16(20)14-9-15(19)18(11-14)7-8-21-2/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyASWPVNMFMQEVRC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.11
Rot. Bonds6

About 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 53181894) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID53181894
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O
InChIInChI=1S/C16H22N2O3/c1-12-3-5-13(6-4-12)10-17-16(20)14-9-15(19)18(11-14)7-8-21-2/h3-6,14H,7-11H2,1-2H3,(H,17,20)
InChIKeyASWPVNMFMQEVRC-UHFFFAOYSA-N
XLogP1.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 53181894) is 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ASWPVNMFMQEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-3-5-13(6-4-12)10-17-16(20)14-9-15(19)18(11-14)7-8-21-2/h3-6,14H,7-11H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53181894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).