N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C18H24N2O4 — CID 75393801

IUPACN-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)(C)C(=O)CNC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-18(2,3)15(21)11-19-16(22)12-24-14-8-6-13(7-9-14)20-10-4-5-17(20)23/h6-9H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyGMTAIKSBMMOUAS-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.92
Rot. Bonds6

About N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 75393801) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID75393801
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)(C)C(=O)CNC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-18(2,3)15(21)11-19-16(22)12-24-14-8-6-13(7-9-14)20-10-4-5-17(20)23/h6-9H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeyGMTAIKSBMMOUAS-UHFFFAOYSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26663251
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 27554751
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 75393801) is N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CC(C)(C)C(=O)CNC(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is GMTAIKSBMMOUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2,3)15(21)11-19-16(22)12-24-14-8-6-13(7-9-14)20-10-4-5-17(20)23/h6-9H,4-5,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 75393801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).