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

C28H27N3O4 — CID 54843633

IUPACN-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C28H27N3O4/c32-27(20-29-22-12-6-13-23(19-22)30-28(33)26-16-8-18-35-26)31-24-14-4-5-15-25(24)34-17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18-19,29H,7,11,17,20H2,(H,30,33)(H,31,32)
InChIKeyXWBFSFGBINDDIG-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.59
Rot. Bonds11

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

N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843633) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843633
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C28H27N3O4/c32-27(20-29-22-12-6-13-23(19-22)30-28(33)26-16-8-18-35-26)31-24-14-4-5-15-25(24)34-17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18-19,29H,7,11,17,20H2,(H,30,33)(H,31,32)
InChIKeyXWBFSFGBINDDIG-UHFFFAOYSA-N
XLogP5.59
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843723
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
3-phenyl-N-[3-[[2-[2-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54826779
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
2-(3,5-dichloroanilino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54813100
2-(furan-2-ylmethylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818603
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268
2-[3-(3-phenylpropoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827333
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843293
N-[4-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839684

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide (CID 54843633) is N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is XWBFSFGBINDDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c32-27(20-29-22-12-6-13-23(19-22)30-28(33)26-16-8-18-35-26)31-24-14-4-5-15-25(24)34-17-7-11-21-9-2-1-3-10-21/h1-6,8-10,12-16,18-19,29H,7,11,17,20H2,(H,30,33)(H,31,32).
What are the key properties of N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 5.59, 11 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-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).