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

C27H25N3O4 — CID 54843325

IUPACN-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C27H25N3O4/c31-26(19-28-21-9-4-10-22(17-21)30-27(32)25-13-6-15-34-25)29-23-11-5-12-24(18-23)33-16-14-20-7-2-1-3-8-20/h1-13,15,17-18,28H,14,16,19H2,(H,29,31)(H,30,32)
InChIKeyMZXICVWBCSMOLZ-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.20
Rot. Bonds10

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

N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843325) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843325
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C27H25N3O4/c31-26(19-28-21-9-4-10-22(17-21)30-27(32)25-13-6-15-34-25)29-23-11-5-12-24(18-23)33-16-14-20-7-2-1-3-8-20/h1-13,15,17-18,28H,14,16,19H2,(H,29,31)(H,30,32)
InChIKeyMZXICVWBCSMOLZ-UHFFFAOYSA-N
XLogP5.20
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

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-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-(3-chlorophenyl)-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828339
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-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
CID 75457531
2-phenylethyl 4-[3-(furan-2-carbonylamino)anilino]-4-oxobutanoate
CID 26169071

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide (CID 54843325) is N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is MZXICVWBCSMOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c31-26(19-28-21-9-4-10-22(17-21)30-27(32)25-13-6-15-34-25)29-23-11-5-12-24(18-23)33-16-14-20-7-2-1-3-8-20/h1-13,15,17-18,28H,14,16,19H2,(H,29,31)(H,30,32).
What are the key properties of N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 5.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).