N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 70296770

IUPACN-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(C)C1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-4-10-18(14-8-6-5-7-9-14)16(20)13-11-15(19)17(2)12-13/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyILHOQONUUSMISE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.30
Rot. Bonds5

About N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 70296770) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID70296770
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)N(C)C1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-3-4-10-18(14-8-6-5-7-9-14)16(20)13-11-15(19)17(2)12-13/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyILHOQONUUSMISE-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120494
1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70100097
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 514971
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70101068
but-2-enedioic acid;1-methyl-5-oxo-N-phenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]pyrrolidine-3-carboxamide
CID 70100100
N-(4-chlorophenyl)-N-(3-chloropropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 139916332
N-[3-(4-benzylpiperidin-1-yl)propyl]-N-(4-tert-butylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 514982
N-benzyl-1-[3-(dimethylamino)propyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113183127
1-tert-butyl-N-ethyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17081121
1-butyl-N-[4-[butyl(phenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153681
2-(N-(1-ethyl-5-oxopyrrolidine-3-carbonyl)anilino)acetic acid
CID 60832506
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 70296770) is N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CCCCN(C(=O)C1CC(=O)N(C)C1)c1ccccc1.
What is the InChIKey of N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is ILHOQONUUSMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-4-10-18(14-8-6-5-7-9-14)16(20)13-11-15(19)17(2)12-13/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70296770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).