N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide

C26H23N3O4 — CID 54822034

IUPACN-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C26H23N3O4/c30-25(28-21-8-4-9-22(16-21)29-26(31)24-10-5-15-32-24)17-27-20-11-13-23(14-12-20)33-18-19-6-2-1-3-7-19/h1-16,27H,17-18H2,(H,28,30)(H,29,31)
InChIKeyOPNQXJTYJMBOSH-UHFFFAOYSA-N
MW441.49 g/mol
LogP5.16
Rot. Bonds9

About N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54822034) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID54822034
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C26H23N3O4/c30-25(28-21-8-4-9-22(16-21)29-26(31)24-10-5-15-32-24)17-27-20-11-13-23(14-12-20)33-18-19-6-2-1-3-7-19/h1-16,27H,17-18H2,(H,28,30)(H,29,31)
InChIKeyOPNQXJTYJMBOSH-UHFFFAOYSA-N
XLogP5.16
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
CID 54840284
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide (CID 54822034) is N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1ccc(OCc2ccccc2)cc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is OPNQXJTYJMBOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-25(28-21-8-4-9-22(16-21)29-26(31)24-10-5-15-32-24)17-27-20-11-13-23(14-12-20)33-18-19-6-2-1-3-7-19/h1-16,27H,17-18H2,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 5.16, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54822034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).