3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide

C15H21N3O3 — CID 107912473

IUPAC3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide
SMILESCCN(CC)CCOc1c(/C(N)=N/O)oc2ccccc12
InChIInChI=1S/C15H21N3O3/c1-3-18(4-2)9-10-20-13-11-7-5-6-8-12(11)21-14(13)15(16)17-19/h5-8,19H,3-4,9-10H2,1-2H3,(H2,16,17)
InChIKeyRFKXPRQKXWZTEL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.25
Rot. Bonds7

About 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide

3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide (PubChem CID 107912473) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide.

Molecular Properties

Compound Name3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide
PubChem CID107912473
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide
SMILESCCN(CC)CCOc1c(/C(N)=N/O)oc2ccccc12
InChIInChI=1S/C15H21N3O3/c1-3-18(4-2)9-10-20-13-11-7-5-6-8-12(11)21-14(13)15(16)17-19/h5-8,19H,3-4,9-10H2,1-2H3,(H2,16,17)
InChIKeyRFKXPRQKXWZTEL-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

3-[(2-ethyl-1-benzofuran-3-yl)oxy]-N'-hydroxypropanimidamide
CID 54396511
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
N'-hydroxy-3-[(2-propan-2-yl-1-benzofuran-3-yl)oxy]propanimidamide
CID 163506559
2-ethyl-N'-hydroxy-1-benzofuran-3-carboximidamide
CID 57368784
4-[2-(diethylamino)ethoxy]-N'-hydroxypyridine-2-carboximidamide
CID 135965118
3-[2-(2-methylpyrazol-3-yl)ethoxy]-1-benzofuran-2-carbothioamide
CID 103002691
2-[2-[(E)-2-(1,2-benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride
CID 5351338
6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
CID 137103725
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
CID 43185548
2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetaldehyde
CID 89140319
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide?
The IUPAC name of 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide (CID 107912473) is 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide.
What is the SMILES notation for 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide?
The canonical SMILES for 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide is CCN(CC)CCOc1c(/C(N)=N/O)oc2ccccc12.
What is the InChIKey of 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide?
The InChIKey is RFKXPRQKXWZTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-18(4-2)9-10-20-13-11-7-5-6-8-12(11)21-14(13)15(16)17-19/h5-8,19H,3-4,9-10H2,1-2H3,(H2,16,17).
What are the key properties of 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide?
3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide has a molecular weight of 291.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethoxy]-N'-hydroxy-1-benzofuran-2-carboximidamide is sourced from PubChem (CID 107912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).