4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide

C12H19N3O3 — CID 74312872

IUPAC4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCOc1cc(C(N)=NO)ccc1OCCN(C)C
InChIInChI=1S/C12H19N3O3/c1-15(2)6-7-18-10-5-4-9(12(13)14-16)8-11(10)17-3/h4-5,8,16H,6-7H2,1-3H3,(H2,13,14)
InChIKeyYKEGHTVFJMBTTA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.73
Rot. Bonds6

About 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide

4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide (PubChem CID 74312872) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
PubChem CID74312872
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide
SMILESCOc1cc(C(N)=NO)ccc1OCCN(C)C
InChIInChI=1S/C12H19N3O3/c1-15(2)6-7-18-10-5-4-9(12(13)14-16)8-11(10)17-3/h4-5,8,16H,6-7H2,1-3H3,(H2,13,14)
InChIKeyYKEGHTVFJMBTTA-UHFFFAOYSA-N
XLogP0.73
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.73
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

(NE)-N-[1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethylidene]hydroxylamine
CID 24711373
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
4-(2-ethylsulfonylethoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 61058058
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
N'-hydroxy-3-methoxy-4-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 76975002
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
3-methoxy-4-[3-[2-methoxy-4-(N'-methylcarbamimidoyl)phenoxy]propoxy]-N'-methylbenzenecarboximidamide
CID 44573805
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
N'-hydroxy-3-methoxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 43646207

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide (CID 74312872) is 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide is COc1cc(C(N)=NO)ccc1OCCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide?
The InChIKey is YKEGHTVFJMBTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(2)6-7-18-10-5-4-9(12(13)14-16)8-11(10)17-3/h4-5,8,16H,6-7H2,1-3H3,(H2,13,14).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide?
4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide has a molecular weight of 253.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N'-hydroxy-3-methoxybenzenecarboximidamide is sourced from PubChem (CID 74312872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).