N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C22H34N4O3 — CID 78871045

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)C(CNC(=O)COc1cccc(N2CCCC2=O)c1)N1CCN(C)CC1
InChIInChI=1S/C22H34N4O3/c1-17(2)20(25-12-10-24(3)11-13-25)15-23-21(27)16-29-19-7-4-6-18(14-19)26-9-5-8-22(26)28/h4,6-7,14,17,20H,5,8-13,15-16H2,1-3H3,(H,23,27)
InChIKeyCOXHGFAXAWJEDM-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.58
Rot. Bonds8

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 78871045) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID78871045
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCC(C)C(CNC(=O)COc1cccc(N2CCCC2=O)c1)N1CCN(C)CC1
InChIInChI=1S/C22H34N4O3/c1-17(2)20(25-12-10-24(3)11-13-25)15-23-21(27)16-29-19-7-4-6-18(14-19)26-9-5-8-22(26)28/h4,6-7,14,17,20H,5,8-13,15-16H2,1-3H3,(H,23,27)
InChIKeyCOXHGFAXAWJEDM-UHFFFAOYSA-N
XLogP1.58
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-(4-methylphenoxy)acetamide
CID 110403144
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18127078
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 24613805
[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727172
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 78871045) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is CC(C)C(CNC(=O)COc1cccc(N2CCCC2=O)c1)N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is COXHGFAXAWJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-17(2)20(25-12-10-24(3)11-13-25)15-23-21(27)16-29-19-7-4-6-18(14-19)26-9-5-8-22(26)28/h4,6-7,14,17,20H,5,8-13,15-16H2,1-3H3,(H,23,27).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 402.54 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 78871045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).