N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide

C22H30N4O3 — CID 8620861

IUPACN-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccco2)CC1
InChIInChI=1S/C22H30N4O3/c1-3-18-7-4-5-9-20(18)23-21(27)16-25-10-12-26(13-11-25)22(28)17-24(2)15-19-8-6-14-29-19/h4-9,14H,3,10-13,15-17H2,1-2H3,(H,23,27)
InChIKeyGJBUQXGLUUXHHG-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.06
Rot. Bonds8

About N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 8620861) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide
PubChem CID8620861
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccco2)CC1
InChIInChI=1S/C22H30N4O3/c1-3-18-7-4-5-9-20(18)23-21(27)16-25-10-12-26(13-11-25)22(28)17-24(2)15-19-8-6-14-29-19/h4-9,14H,3,10-13,15-17H2,1-2H3,(H,23,27)
InChIKeyGJBUQXGLUUXHHG-UHFFFAOYSA-N
XLogP2.06
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 24665074
N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112799747
N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 55445521
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120594769
2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 78825795
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9022351
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide (CID 8620861) is N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)Cc2ccco2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is GJBUQXGLUUXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-18-7-4-5-9-20(18)23-21(27)16-25-10-12-26(13-11-25)22(28)17-24(2)15-19-8-6-14-29-19/h4-9,14H,3,10-13,15-17H2,1-2H3,(H,23,27).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8620861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).