N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

C26H25N3O3 — CID 56586618

IUPACN-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCCNc1ccccc1
InChIInChI=1S/C26H25N3O3/c30-25(28-16-6-15-27-21-8-2-1-3-9-21)17-19-11-13-22(14-12-19)29-26(31)24-18-20-7-4-5-10-23(20)32-24/h1-5,7-14,18,27H,6,15-17H2,(H,28,30)(H,29,31)
InChIKeyRXGDOLFEPZPWHS-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.85
Rot. Bonds9

About N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide

N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 56586618) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
PubChem CID56586618
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCCNc1ccccc1
InChIInChI=1S/C26H25N3O3/c30-25(28-16-6-15-27-21-8-2-1-3-9-21)17-19-11-13-22(14-12-19)29-26(31)24-18-20-7-4-5-10-23(20)32-24/h1-5,7-14,18,27H,6,15-17H2,(H,28,30)(H,29,31)
InChIKeyRXGDOLFEPZPWHS-UHFFFAOYSA-N
XLogP4.85
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56559124
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-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-[4-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60571787
N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]phenyl]-1-benzofuran-2-carboxamide
CID 119536846
N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572617
N-[4-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572471
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
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
[4-(1-benzofuran-2-carbonylamino)phenyl] acetate
CID 6457571

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide (CID 56586618) is N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)NCCCNc1ccccc1.
What is the InChIKey of N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is RXGDOLFEPZPWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-25(28-16-6-15-27-21-8-2-1-3-9-21)17-19-11-13-22(14-12-19)29-26(31)24-18-20-7-4-5-10-23(20)32-24/h1-5,7-14,18,27H,6,15-17H2,(H,28,30)(H,29,31).
What are the key properties of N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56586618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).