N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide

C21H20N2O4 — CID 30907632

IUPACN-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O4/c24-20(9-5-14-26-18-6-2-1-3-7-18)22-16-10-12-17(13-11-16)23-21(25)19-8-4-15-27-19/h1-4,6-8,10-13,15H,5,9,14H2,(H,22,24)(H,23,25)
InChIKeyRXVCVGNCDYTLAH-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.33
Rot. Bonds8

About N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide

N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide (PubChem CID 30907632) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
PubChem CID30907632
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O4/c24-20(9-5-14-26-18-6-2-1-3-7-18)22-16-10-12-17(13-11-16)23-21(25)19-8-4-15-27-19/h1-4,6-8,10-13,15H,5,9,14H2,(H,22,24)(H,23,25)
InChIKeyRXVCVGNCDYTLAH-UHFFFAOYSA-N
XLogP4.33
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.33
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-hydroxybutanoylamino)phenyl]furan-2-carboxamide
CID 79204658
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-(2-phenoxyethoxy)furan-2-carboxamide
CID 110294654
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 42014719
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide (CID 30907632) is N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide is O=C(CCCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide?
The InChIKey is RXVCVGNCDYTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(9-5-14-26-18-6-2-1-3-7-18)22-16-10-12-17(13-11-16)23-21(25)19-8-4-15-27-19/h1-4,6-8,10-13,15H,5,9,14H2,(H,22,24)(H,23,25).
What are the key properties of N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide?
N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxybutanoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 30907632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).