N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

C25H23N3O4 — CID 110562422

IUPACN-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1
InChIInChI=1S/C25H23N3O4/c1-3-27(20-8-5-4-6-9-20)23-22(18-11-13-19(14-12-18)26-17(2)29)24(30)28(25(23)31)16-21-10-7-15-32-21/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyASWLTCCYOXVIOE-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.04
Rot. Bonds7

About N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide

N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (PubChem CID 110562422) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
PubChem CID110562422
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
SMILESCCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1
InChIInChI=1S/C25H23N3O4/c1-3-27(20-8-5-4-6-9-20)23-22(18-11-13-19(14-12-18)26-17(2)29)24(30)28(25(23)31)16-21-10-7-15-32-21/h4-15H,3,16H2,1-2H3,(H,26,29)
InChIKeyASWLTCCYOXVIOE-UHFFFAOYSA-N
XLogP4.04
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110569377
N-[4-[4-(N-ethylanilino)-2,5-dioxo-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562507
N-[4-[4-(N-ethylanilino)-1-(3-methoxypropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562877
N-[4-[4-benzylsulfanyl-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562432
3-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110543477
N-[4-[1-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563350
N-[4-[3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110550353
N-[4-[1-(furan-2-ylmethyl)-4-(3-methoxyanilino)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596279
N-[4-[1-benzyl-4-[benzyl(methyl)amino]-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562529
3-[4-(diethylamino)anilino]-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592674
3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560065
N-[4-[4-[benzyl(methyl)amino]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
CID 110562626

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide (CID 110562422) is N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is CCN(C1=C(c2ccc(NC(C)=O)cc2)C(=O)N(Cc2ccco2)C1=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
The InChIKey is ASWLTCCYOXVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-27(20-8-5-4-6-9-20)23-22(18-11-13-19(14-12-18)26-17(2)29)24(30)28(25(23)31)16-21-10-7-15-32-21/h4-15H,3,16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide?
N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-ethylanilino)-1-(furan-2-ylmethyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).