N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C25H27N3O5 — CID 55396280

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CN3C(=O)NC(CC)(c4ccccc4)C3=O)oc12
InChIInChI=1S/C25H27N3O5/c1-4-25(18-11-7-6-8-12-18)23(30)28(24(31)27-25)15-21(29)26-16(3)20-14-17-10-9-13-19(32-5-2)22(17)33-20/h6-14,16H,4-5,15H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyNGEAAQQTOFGMBW-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.87
Rot. Bonds8

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 55396280) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID55396280
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)CN3C(=O)NC(CC)(c4ccccc4)C3=O)oc12
InChIInChI=1S/C25H27N3O5/c1-4-25(18-11-7-6-8-12-18)23(30)28(24(31)27-25)15-21(29)26-16(3)20-14-17-10-9-13-19(32-5-2)22(17)33-20/h6-14,16H,4-5,15H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyNGEAAQQTOFGMBW-UHFFFAOYSA-N
XLogP3.87
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24544890
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55588689
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8849641
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7179501
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7181386
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(3-methyl-1-phenylbutyl)acetamide
CID 43027676
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2703164
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 55396280) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCOc1cccc2cc(C(C)NC(=O)CN3C(=O)NC(CC)(c4ccccc4)C3=O)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is NGEAAQQTOFGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-4-25(18-11-7-6-8-12-18)23(30)28(24(31)27-25)15-21(29)26-16(3)20-14-17-10-9-13-19(32-5-2)22(17)33-20/h6-14,16H,4-5,15H2,1-3H3,(H,26,29)(H,27,31).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 449.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55396280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).