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

C24H26N4O5 — CID 54843328

IUPACN-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C24H26N4O5/c1-32-12-5-11-25-23(30)17-6-2-8-19(14-17)27-22(29)16-26-18-7-3-9-20(15-18)28-24(31)21-10-4-13-33-21/h2-4,6-10,13-15,26H,5,11-12,16H2,1H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyIWEDTNGARXXVPB-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.35
Rot. Bonds11

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

N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843328) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843328
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC NameN-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C24H26N4O5/c1-32-12-5-11-25-23(30)17-6-2-8-19(14-17)27-22(29)16-26-18-7-3-9-20(15-18)28-24(31)21-10-4-13-33-21/h2-4,6-10,13-15,26H,5,11-12,16H2,1H3,(H,25,30)(H,27,29)(H,28,31)
InChIKeyIWEDTNGARXXVPB-UHFFFAOYSA-N
XLogP3.35
TPSA121.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843294
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
N-(3-methoxypropyl)-3-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54837559
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
4-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836483
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
N-(3-methoxypropyl)-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54842246
3-[[2-(3-butoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54825060
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
N-tert-butyl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844318
N-[3-[2-(2-methylphenoxy)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55907187
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843328) is N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is COCCCNC(=O)c1cccc(NC(=O)CNc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is IWEDTNGARXXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-32-12-5-11-25-23(30)17-6-2-8-19(14-17)27-22(29)16-26-18-7-3-9-20(15-18)28-24(31)21-10-4-13-33-21/h2-4,6-10,13-15,26H,5,11-12,16H2,1H3,(H,25,30)(H,27,29)(H,28,31).
What are the key properties of N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.35, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).