4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

C23H30N4O3 — CID 42954695

IUPAC4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCCc3occc32)CC1
InChIInChI=1S/C23H30N4O3/c1-2-17-6-3-4-7-19(17)24-22(28)16-26-11-13-27(14-12-26)23(29)25-20-8-5-9-21-18(20)10-15-30-21/h3-4,6-7,10,15,20H,2,5,8-9,11-14,16H2,1H3,(H,24,28)(H,25,29)
InChIKeyVMFNVAMIZOZKIH-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.19
Rot. Bonds5

About 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide

4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide (PubChem CID 42954695) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
PubChem CID42954695
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCCc3occc32)CC1
InChIInChI=1S/C23H30N4O3/c1-2-17-6-3-4-7-19(17)24-22(28)16-26-11-13-27(14-12-26)23(29)25-20-8-5-9-21-18(20)10-15-30-21/h3-4,6-7,10,15,20H,2,5,8-9,11-14,16H2,1H3,(H,24,28)(H,25,29)
InChIKeyVMFNVAMIZOZKIH-UHFFFAOYSA-N
XLogP3.19
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[2-(2-ethylanilino)-2-oxoethyl]-N-[3-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
CID 55590102
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide
CID 78857796
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
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
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 33217745
2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 42917736
N-(2-ethylphenyl)-2-[4-(1-propylpiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 86844281
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
N-(2-ethylphenyl)-2-[4-[2-[furan-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]acetamide
CID 8620861

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide (CID 42954695) is 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)NC2CCCc3occc32)CC1.
What is the InChIKey of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
The InChIKey is VMFNVAMIZOZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-17-6-3-4-7-19(17)24-22(28)16-26-11-13-27(14-12-26)23(29)25-20-8-5-9-21-18(20)10-15-30-21/h3-4,6-7,10,15,20H,2,5,8-9,11-14,16H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide?
4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylanilino)-2-oxoethyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 42954695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).