N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide

C15H20N2O3 — CID 78982066

IUPACN-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C15H20N2O3/c1-9(2)20-12-4-5-13(10(3)6-12)17-15(19)11-7-14(18)16-8-11/h4-6,9,11H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyWUBROWDCXATCFH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.86
Rot. Bonds4

About N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982066) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78982066
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C15H20N2O3/c1-9(2)20-12-4-5-13(10(3)6-12)17-15(19)11-7-14(18)16-8-11/h4-6,9,11H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyWUBROWDCXATCFH-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
N-(2-methyl-4-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862659
(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97084480
methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729169
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982076
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103
(2S)-2-amino-N-(2-methyl-4-propan-2-yloxyphenyl)propanamide
CID 92930680
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
(2R)-N-[2-methyl-4-[(1R)-1-phenylethoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95348679

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78982066) is N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(OC(C)C)ccc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WUBROWDCXATCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)20-12-4-5-13(10(3)6-12)17-15(19)11-7-14(18)16-8-11/h4-6,9,11H,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).