N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide

C19H20N2O5 — CID 3121020

IUPACN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccco3)C(C)=O)C2=O)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-15-8-6-14(7-9-15)21-18(23)11-17(19(21)24)20(13(2)22)12-16-5-4-10-26-16/h4-10,17H,3,11-12H2,1-2H3
InChIKeyRJBUKEIOAJLJEU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.36
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 3121020) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID3121020
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(N2C(=O)CC(N(Cc3ccco3)C(C)=O)C2=O)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-15-8-6-14(7-9-15)21-18(23)11-17(19(21)24)20(13(2)22)12-16-5-4-10-26-16/h4-10,17H,3,11-12H2,1-2H3
InChIKeyRJBUKEIOAJLJEU-UHFFFAOYSA-N
XLogP2.36
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2981070
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-(3-Amino-phenyl)-N'-furan-2-ylmethyl-succinamide
CID 859436
(E)-3-(furan-2-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 963834
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
N-(4-fluorophenyl)-1-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815710
1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2921642
N-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2982164
1-(4-Ethoxyphenyl)-3-[(tetrahydro-2-furanylmethyl)amino]-2,5-pyrrolidinedione
CID 3139874
2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 3219765

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide (CID 3121020) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(N2C(=O)CC(N(Cc3ccco3)C(C)=O)C2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RJBUKEIOAJLJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-15-8-6-14(7-9-15)21-18(23)11-17(19(21)24)20(13(2)22)12-16-5-4-10-26-16/h4-10,17H,3,11-12H2,1-2H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide?
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 3121020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).