N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

C24H23N3O5 — CID 56559124

IUPACN-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C24H23N3O5/c28-21(25-12-3-13-27-22(29)10-11-23(27)30)14-16-6-8-18(9-7-16)26-24(31)20-15-17-4-1-2-5-19(17)32-20/h1-2,4-9,15H,3,10-14H2,(H,25,28)(H,26,31)
InChIKeySDGMUWWGPLOGIL-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.88
Rot. Bonds8

About N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 56559124) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID56559124
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC NameN-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C24H23N3O5/c28-21(25-12-3-13-27-22(29)10-11-23(27)30)14-16-6-8-18(9-7-16)26-24(31)20-15-17-4-1-2-5-19(17)32-20/h1-2,4-9,15H,3,10-14H2,(H,25,28)(H,26,31)
InChIKeySDGMUWWGPLOGIL-UHFFFAOYSA-N
XLogP2.88
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
N-[4-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119380514
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571464
2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-1-benzofuran
CID 146097133

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (CID 56559124) is N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCCN1C(=O)CCC1=O.
What is the InChIKey of N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is SDGMUWWGPLOGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c28-21(25-12-3-13-27-22(29)10-11-23(27)30)14-16-6-8-18(9-7-16)26-24(31)20-15-17-4-1-2-5-19(17)32-20/h1-2,4-9,15H,3,10-14H2,(H,25,28)(H,26,31).
What are the key properties of N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56559124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).