1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide

C15H20N2O2 — CID 46943965

IUPAC1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c1-3-16-14(19)15(2)9-10-17(11-15)13(18)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,19)
InChIKeyCFXWHANQUVXXNV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds3

About 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide

1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide (PubChem CID 46943965) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide
PubChem CID46943965
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c1-3-16-14(19)15(2)9-10-17(11-15)13(18)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,19)
InChIKeyCFXWHANQUVXXNV-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide (CID 46943965) is 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide is CCNC(=O)C1(C)CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide?
The InChIKey is CFXWHANQUVXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-16-14(19)15(2)9-10-17(11-15)13(18)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,19).
What are the key properties of 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide?
1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-ethyl-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 46943965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).