N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide

C15H19N3O3 — CID 77020886

IUPACN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide
SMILESCCC(CC)(NC(=O)c1coc2ccccc12)C(N)=NO
InChIInChI=1S/C15H19N3O3/c1-3-15(4-2,14(16)18-20)17-13(19)11-9-21-12-8-6-5-7-10(11)12/h5-9,20H,3-4H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyJEUBCYCGQGCTOU-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide

N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 77020886) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide
PubChem CID77020886
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide
SMILESCCC(CC)(NC(=O)c1coc2ccccc12)C(N)=NO
InChIInChI=1S/C15H19N3O3/c1-3-15(4-2,14(16)18-20)17-13(19)11-9-21-12-8-6-5-7-10(11)12/h5-9,20H,3-4H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyJEUBCYCGQGCTOU-UHFFFAOYSA-N
XLogP2.47
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-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-(chloromethyl)pentan-3-yl]-1-benzofuran-3-carboxamide
CID 113273354
N-(4-amino-4-hydroxyiminobutan-2-yl)-1-benzofuran-3-carboxamide
CID 77020851
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
2,4-dichloro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]benzamide
CID 61134108
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
2,5-dibromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]thiophene-3-carboxamide
CID 107965106
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
3-bromo-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]pyridine-2-carboxamide
CID 107525349

Frequently Asked Questions

What is the IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide (CID 77020886) is N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide is CCC(CC)(NC(=O)c1coc2ccccc12)C(N)=NO.
What is the InChIKey of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is JEUBCYCGQGCTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-15(4-2,14(16)18-20)17-13(19)11-9-21-12-8-6-5-7-10(11)12/h5-9,20H,3-4H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide?
N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N'-hydroxycarbamimidoyl)pentan-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 77020886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).