N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide

C19H22N2O2 — CID 46048952

IUPACN-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C19H22N2O2/c1-13(2)12-20-18(22)17-9-10-21(19(17)23)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXDCGJBWHVGXZMF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

About N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide

N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048952) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
PubChem CID46048952
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C19H22N2O2/c1-13(2)12-20-18(22)17-9-10-21(19(17)23)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXDCGJBWHVGXZMF-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42853497
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495
(2R)-3-[[(3S)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 124690681
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
1-(3,4-difluorophenyl)-N-[2-(methylamino)propyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120829415
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
1-(3,4-difluorophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 136578737
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119497270
(3R)-N-(1-benzofuran-2-ylmethyl)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 97006207
2-oxo-1-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 20964223

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide (CID 46048952) is N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is XDCGJBWHVGXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(2)12-20-18(22)17-9-10-21(19(17)23)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide?
N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).