N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C16H22N2O2 — CID 3336542

IUPACN-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-14(8-9-15(18)19)16(20)17-10-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)
InChIKeyXNBZLFPNCKUYSK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.01
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 3336542) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID3336542
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)cc1
InChIInChI=1S/C16H22N2O2/c1-11(2)18-14(8-9-15(18)19)16(20)17-10-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)
InChIKeyXNBZLFPNCKUYSK-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 3336542) is N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N2C(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is XNBZLFPNCKUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)18-14(8-9-15(18)19)16(20)17-10-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,17,20).
What are the key properties of N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3336542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).