N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

C19H21N3O5 — CID 108531126

IUPACN-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H21N3O5/c1-2-26-15-7-4-3-6-14(15)20-17(23)19(25)22-11-9-21(10-12-22)18(24)16-8-5-13-27-16/h3-8,13H,2,9-12H2,1H3,(H,20,23)
InChIKeyIZMRSSIJHYKKHY-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.60
Rot. Bonds4

About N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide

N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108531126) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108531126
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H21N3O5/c1-2-26-15-7-4-3-6-14(15)20-17(23)19(25)22-11-9-21(10-12-22)18(24)16-8-5-13-27-16/h3-8,13H,2,9-12H2,1H3,(H,20,23)
InChIKeyIZMRSSIJHYKKHY-UHFFFAOYSA-N
XLogP1.60
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108527945
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
N-(2-amino-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108532723
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108950830
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-hydroxyphenyl)-2-oxoacetamide
CID 108502139
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-(4-tert-butylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108529847
(2R)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 2475883
N-[2-(diethylamino)ethyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108522264
N-(2-chloroethyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108514040
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2,3-dimethoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 20506465

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide (CID 108531126) is N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is IZMRSSIJHYKKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-2-26-15-7-4-3-6-14(15)20-17(23)19(25)22-11-9-21(10-12-22)18(24)16-8-5-13-27-16/h3-8,13H,2,9-12H2,1H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 371.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108531126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).