1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

C21H24N2O2 — CID 3602652

IUPAC1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-9-15(2)20(16(3)10-14)22-21(25)18-11-19(24)23(13-18)12-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3,(H,22,25)
InChIKeyCNZYZSYZJFYWOV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.60
Rot. Bonds4

About 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (PubChem CID 3602652) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
PubChem CID3602652
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-9-15(2)20(16(3)10-14)22-21(25)18-11-19(24)23(13-18)12-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3,(H,22,25)
InChIKeyCNZYZSYZJFYWOV-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide (CID 3602652) is 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is CNZYZSYZJFYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-9-15(2)20(16(3)10-14)22-21(25)18-11-19(24)23(13-18)12-17-7-5-4-6-8-17/h4-10,18H,11-13H2,1-3H3,(H,22,25).
What are the key properties of 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3602652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).