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

C22H22N2O4 — CID 24681410

IUPACN-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H22N2O4/c1-16-10-12-17(13-11-16)28-19-7-3-2-6-18(19)24-21(25)9-4-14-23-22(26)20-8-5-15-27-20/h2-3,5-8,10-13,15H,4,9,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyXTKSYMKSYGJDRQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.53
Rot. Bonds8

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

N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 24681410) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
PubChem CID24681410
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C22H22N2O4/c1-16-10-12-17(13-11-16)28-19-7-3-2-6-18(19)24-21(25)9-4-14-23-22(26)20-8-5-15-27-20/h2-3,5-8,10-13,15H,4,9,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyXTKSYMKSYGJDRQ-UHFFFAOYSA-N
XLogP4.53
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
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-[4-(2-cyanophenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 86832735
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 60542397
N-[4-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39754906
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
N-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 43036802
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
methyl 4-chloro-3-[4-(furan-2-carbonylamino)butanoylamino]benzoate
CID 31891304
N-[2-[[2-(3-fluorophenoxy)phenyl]carbamoylamino]ethyl]furan-2-carboxamide
CID 60554186
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide (CID 24681410) is N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is XTKSYMKSYGJDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-16-10-12-17(13-11-16)28-19-7-3-2-6-18(19)24-21(25)9-4-14-23-22(26)20-8-5-15-27-20/h2-3,5-8,10-13,15H,4,9,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 24681410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).