N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide

C17H24N2O2 — CID 110736936

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-5-7-13(8-6-12)9-15(20)18-14-10-16(21)19(11-14)17(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,20)
InChIKeyQUHXTHAEBUUVOZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.05
Rot. Bonds3

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 110736936) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID110736936
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-5-7-13(8-6-12)9-15(20)18-14-10-16(21)19(11-14)17(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,20)
InChIKeyQUHXTHAEBUUVOZ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-(4-fluorophenyl)propanamide
CID 110736931
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide
CID 119343413
(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
4-amino-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)butanamide;hydrochloride
CID 119343412
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
1-(2-amino-5-methylphenyl)-3-(1-tert-butyl-5-oxopyrrolidin-3-yl)urea
CID 108876310
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide
CID 7255046

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide (CID 110736936) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NC2CC(=O)N(C(C)(C)C)C2)cc1.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is QUHXTHAEBUUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-7-13(8-6-12)9-15(20)18-14-10-16(21)19(11-14)17(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 110736936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).