N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C26H31N3O4 — CID 54843293

IUPACN-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C26H31N3O4/c1-2-3-4-5-6-15-32-23-13-8-12-22(18-23)28-25(30)19-27-20-10-7-11-21(17-20)29-26(31)24-14-9-16-33-24/h7-14,16-18,27H,2-6,15,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyWIBNZFIHWWORIQ-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.93
Rot. Bonds13

About N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843293) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843293
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C26H31N3O4/c1-2-3-4-5-6-15-32-23-13-8-12-22(18-23)28-25(30)19-27-20-10-7-11-21(17-20)29-26(31)24-14-9-16-33-24/h7-14,16-18,27H,2-6,15,19H2,1H3,(H,28,30)(H,29,31)
InChIKeyWIBNZFIHWWORIQ-UHFFFAOYSA-N
XLogP5.93
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.93
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-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-(furan-2-ylmethyl)-3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834514
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
N-[3-[[2-(heptylamino)acetyl]amino]phenyl]furan-2-carboxamide
CID 54814790

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843293) is N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is CCCCCCCOc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is WIBNZFIHWWORIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-2-3-4-5-6-15-32-23-13-8-12-22(18-23)28-25(30)19-27-20-10-7-11-21(17-20)29-26(31)24-14-9-16-33-24/h7-14,16-18,27H,2-6,15,19H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 5.93, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-heptoxyanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).