N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C18H26N2O2 — CID 42853497

IUPACN-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-12(2)11-19-17(21)16-9-10-20(18(16)22)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,21)
InChIKeyHSIITABOLPRSST-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.94
Rot. Bonds5

About N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42853497) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID42853497
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C18H26N2O2/c1-12(2)11-19-17(21)16-9-10-20(18(16)22)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,21)
InChIKeyHSIITABOLPRSST-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.94
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

1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
N-(2-methylpropyl)-1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxamide
CID 46048952
N-(3-aminopropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119409081
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
2-[[[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245364
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
N-[3-(aminomethyl)pentan-3-yl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119572133
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 119422849
N-(2-aminophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119422848
2-[4-[[[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698551
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 120891357

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 42853497) is N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CCN(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is HSIITABOLPRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)11-19-17(21)16-9-10-20(18(16)22)15-7-5-14(6-8-15)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42853497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).