N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide

C17H19N3O4 — CID 84993401

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC(NC(=O)CCCN1C(=O)CNC1=O)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O4/c1-11(14-9-12-5-2-3-6-13(12)24-14)19-15(21)7-4-8-20-16(22)10-18-17(20)23/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,18,23)(H,19,21)
InChIKeyFUWPUHOZAINOPO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.94
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (PubChem CID 84993401) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
PubChem CID84993401
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
SMILESCC(NC(=O)CCCN1C(=O)CNC1=O)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O4/c1-11(14-9-12-5-2-3-6-13(12)24-14)19-15(21)7-4-8-20-16(22)10-18-17(20)23/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,18,23)(H,19,21)
InChIKeyFUWPUHOZAINOPO-UHFFFAOYSA-N
XLogP1.94
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 18137199
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9369100
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26238936
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549120
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[1-(1-benzofuran-2-yl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46828224
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408
2-(azetidin-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 64618561

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide (CID 84993401) is N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is CC(NC(=O)CCCN1C(=O)CNC1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
The InChIKey is FUWPUHOZAINOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(14-9-12-5-2-3-6-13(12)24-14)19-15(21)7-4-8-20-16(22)10-18-17(20)23/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,18,23)(H,19,21).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide has a molecular weight of 329.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide is sourced from PubChem (CID 84993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).