1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C18H24N2O3 — CID 3241451

IUPAC1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-6-14(7-5-13)12-20-16(8-9-17(20)21)18(22)19-11-15-3-2-10-23-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyJOUVYNZHDHJFKB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.78
Rot. Bonds5

About 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 3241451) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID3241451
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-6-14(7-5-13)12-20-16(8-9-17(20)21)18(22)19-11-15-3-2-10-23-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyJOUVYNZHDHJFKB-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 3241451) is 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is JOUVYNZHDHJFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-4-6-14(7-5-13)12-20-16(8-9-17(20)21)18(22)19-11-15-3-2-10-23-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,19,22).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).