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

C23H25N3O4 — CID 54843689

IUPACN-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCC(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C23H25N3O4/c1-16(2)15-30-20-10-8-17(9-11-20)25-22(27)14-24-18-5-3-6-19(13-18)26-23(28)21-7-4-12-29-21/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGFGQUBPKWGUSQK-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.62
Rot. Bonds9

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

N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843689) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843689
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCC(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C23H25N3O4/c1-16(2)15-30-20-10-8-17(9-11-20)25-22(27)14-24-18-5-3-6-19(13-18)26-23(28)21-7-4-12-29-21/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGFGQUBPKWGUSQK-UHFFFAOYSA-N
XLogP4.62
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
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-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
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
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 46406954
N-[3-[[2-[4-(tert-butylcarbamoyl)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54834446
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843689) is N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is CC(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is GFGQUBPKWGUSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16(2)15-30-20-10-8-17(9-11-20)25-22(27)14-24-18-5-3-6-19(13-18)26-23(28)21-7-4-12-29-21/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.62, 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-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).