N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide

C19H20N2O3 — CID 156653481

IUPACN'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESCCCCOc1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-2-3-10-23-17-6-4-5-16(13-17)20-19(21-22)15-7-8-18-14(12-15)9-11-24-18/h4-9,11-13,22H,2-3,10H2,1H3,(H,20,21)
InChIKeyNHUIVASBKXZDII-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.67
Rot. Bonds6

About N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide

N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide (PubChem CID 156653481) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide.

Molecular Properties

Compound NameN'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
PubChem CID156653481
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide
SMILESCCCCOc1cccc(/N=C(\NO)c2ccc3occc3c2)c1
InChIInChI=1S/C19H20N2O3/c1-2-3-10-23-17-6-4-5-16(13-17)20-19(21-22)15-7-8-18-14(12-15)9-11-24-18/h4-9,11-13,22H,2-3,10H2,1H3,(H,20,21)
InChIKeyNHUIVASBKXZDII-UHFFFAOYSA-N
XLogP4.67
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The IUPAC name of N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide (CID 156653481) is N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide.
What is the SMILES notation for N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The canonical SMILES for N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide is CCCCOc1cccc(/N=C(\NO)c2ccc3occc3c2)c1.
What is the InChIKey of N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
The InChIKey is NHUIVASBKXZDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-10-23-17-6-4-5-16(13-17)20-19(21-22)15-7-8-18-14(12-15)9-11-24-18/h4-9,11-13,22H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide?
N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide has a molecular weight of 324.38 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-butoxyphenyl)-N-hydroxy-1-benzofuran-5-carboximidamide is sourced from PubChem (CID 156653481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).