N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide

C27H25N3O5 — CID 54843570

IUPACN-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C27H25N3O5/c31-26(19-28-20-7-4-8-21(17-20)30-27(32)25-13-6-14-35-25)29-22-9-5-12-24(18-22)34-16-15-33-23-10-2-1-3-11-23/h1-14,17-18,28H,15-16,19H2,(H,29,31)(H,30,32)
InChIKeyBYBIJSIGAZPIBB-UHFFFAOYSA-N
MW471.51 g/mol
LogP5.04
Rot. Bonds11

About N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843570) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843570
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C27H25N3O5/c31-26(19-28-20-7-4-8-21(17-20)30-27(32)25-13-6-14-35-25)29-22-9-5-12-24(18-22)34-16-15-33-23-10-2-1-3-11-23/h1-14,17-18,28H,15-16,19H2,(H,29,31)(H,30,32)
InChIKeyBYBIJSIGAZPIBB-UHFFFAOYSA-N
XLogP5.04
TPSA101.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.51
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-[3-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54822034
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N-[3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843689
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54827581

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide (CID 54843570) is N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is BYBIJSIGAZPIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c31-26(19-28-20-7-4-8-21(17-20)30-27(32)25-13-6-14-35-25)29-22-9-5-12-24(18-22)34-16-15-33-23-10-2-1-3-11-23/h1-14,17-18,28H,15-16,19H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 5.04, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).