N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C17H24N2O3 — CID 26685980

IUPACN-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)CCNC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-13(2)9-10-18-16(20)12-22-15-7-5-14(6-8-15)19-11-3-4-17(19)21/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyWDORPPXCFPCDQC-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.35
Rot. Bonds7

About N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 26685980) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID26685980
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)CCNC(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H24N2O3/c1-13(2)9-10-18-16(20)12-22-15-7-5-14(6-8-15)19-11-3-4-17(19)21/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyWDORPPXCFPCDQC-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
[2-oxo-2-(pentylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 38901895
N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 55429750
N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27838911
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 112815547
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 94015362
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 26685980) is N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CC(C)CCNC(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is WDORPPXCFPCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)9-10-18-16(20)12-22-15-7-5-14(6-8-15)19-11-3-4-17(19)21/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 26685980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).