N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide

C22H19N3O4 — CID 86832735

IUPACN-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19N3O4/c23-15-16-5-1-2-6-19(16)29-18-11-9-17(10-12-18)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13H2,(H,24,27)(H,25,26)
InChIKeyJGUQYMIFCQHBNH-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.09
Rot. Bonds8

About N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide

N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 86832735) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
PubChem CID86832735
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESN#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H19N3O4/c23-15-16-5-1-2-6-19(16)29-18-11-9-17(10-12-18)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13H2,(H,24,27)(H,25,26)
InChIKeyJGUQYMIFCQHBNH-UHFFFAOYSA-N
XLogP4.09
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 24681410
1-benzyl-3-[4-(2-cyanophenoxy)phenyl]-1-(furan-2-ylmethyl)urea
CID 60577721
N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18164708
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
2-(cyanomethylsulfanyl)-N-[4-(2-cyanophenoxy)phenyl]acetamide
CID 51092504
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
CID 30907632
2-(2-cyanophenoxy)-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901734
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 55598715
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
N-[4-(4-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide (CID 86832735) is N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide is N#Cc1ccccc1Oc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is JGUQYMIFCQHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c23-15-16-5-1-2-6-19(16)29-18-11-9-17(10-12-18)25-21(26)8-3-13-24-22(27)20-7-4-14-28-20/h1-2,4-7,9-12,14H,3,8,13H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 86832735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).