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

C17H21N3O4 — CID 54843294

IUPACN-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCOCCCNC(=O)CNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H21N3O4/c1-23-9-4-8-18-16(21)12-19-13-5-2-6-14(11-13)20-17(22)15-7-3-10-24-15/h2-3,5-7,10-11,19H,4,8-9,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyKVKAOKSFVVDELU-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.10
Rot. Bonds9

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

N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 54843294) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID54843294
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESCOCCCNC(=O)CNc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C17H21N3O4/c1-23-9-4-8-18-16(21)12-19-13-5-2-6-14(11-13)20-17(22)15-7-3-10-24-15/h2-3,5-7,10-11,19H,4,8-9,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyKVKAOKSFVVDELU-UHFFFAOYSA-N
XLogP2.10
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(3-methoxypropylamino)-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-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328
N-[3-[[2-(butylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843687
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-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843570
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843268
N-[3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843325
N-[3-[[2-oxo-2-[2-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]furan-2-carboxamide
CID 54843633
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 54843294) is N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is COCCCNC(=O)CNc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is KVKAOKSFVVDELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-9-4-8-18-16(21)12-19-13-5-2-6-14(11-13)20-17(22)15-7-3-10-24-15/h2-3,5-7,10-11,19H,4,8-9,12H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 54843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).