2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide

C24H34N4O3 — CID 55570754

IUPAC2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)Cc2ccco2)CC1
InChIInChI=1S/C24H34N4O3/c1-3-20(2)25-23(29)18-26-11-13-27(14-12-26)19-24(30)28(17-22-10-7-15-31-22)16-21-8-5-4-6-9-21/h4-10,15,20H,3,11-14,16-19H2,1-2H3,(H,25,29)
InChIKeyYNWZLJNZGPDJOV-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.34
Rot. Bonds10

About 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide

2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide (PubChem CID 55570754) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
PubChem CID55570754
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)Cc2ccco2)CC1
InChIInChI=1S/C24H34N4O3/c1-3-20(2)25-23(29)18-26-11-13-27(14-12-26)19-24(30)28(17-22-10-7-15-31-22)16-21-8-5-4-6-9-21/h4-10,15,20H,3,11-14,16-19H2,1-2H3,(H,25,29)
InChIKeyYNWZLJNZGPDJOV-UHFFFAOYSA-N
XLogP2.34
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55566381
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 60546192
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 25482636
N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888860
N-[4-(furan-2-yl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 61249923
N-benzyl-N-(furan-2-ylmethyl)-2-(methylamino)acetamide;hydrochloride
CID 120703561
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 3473537
N-benzyl-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 56554989
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 111113787
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 46662855

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide (CID 55570754) is 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)Cc2ccco2)CC1.
What is the InChIKey of 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
The InChIKey is YNWZLJNZGPDJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-3-20(2)25-23(29)18-26-11-13-27(14-12-26)19-24(30)28(17-22-10-7-15-31-22)16-21-8-5-4-6-9-21/h4-10,15,20H,3,11-14,16-19H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide?
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide has a molecular weight of 426.56 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 55570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).