N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C22H23N3O5 — CID 54843353

IUPACN-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H23N3O5/c1-28-12-13-29-19-9-7-16(8-10-19)24-21(26)15-23-17-4-2-5-18(14-17)25-22(27)20-6-3-11-30-20/h2-11,14,23H,12-13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyHIUYZSQLMLGSEI-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.61
Rot. Bonds10

About N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843353) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843353
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC NameN-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H23N3O5/c1-28-12-13-29-19-9-7-16(8-10-19)24-21(26)15-23-17-4-2-5-18(14-17)25-22(27)20-6-3-11-30-20/h2-11,14,23H,12-13,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyHIUYZSQLMLGSEI-UHFFFAOYSA-N
XLogP3.61
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54822034
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843294
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
N-[3-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 26169191

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843353) is N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is COCCOc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is HIUYZSQLMLGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-28-12-13-29-19-9-7-16(8-10-19)24-21(26)15-23-17-4-2-5-18(14-17)25-22(27)20-6-3-11-30-20/h2-11,14,23H,12-13,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.61, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).