N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 3136507

IUPACN-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-12(2)8-9-17-16(20)13-10-15(19)18(11-13)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20)
InChIKeyJEDCMVBDZRIKPG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.20
Rot. Bonds5

About N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 3136507) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID3136507
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-12(2)8-9-17-16(20)13-10-15(19)18(11-13)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20)
InChIKeyJEDCMVBDZRIKPG-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 3136507) is N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JEDCMVBDZRIKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)8-9-17-16(20)13-10-15(19)18(11-13)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3136507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).