N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide

C15H24N2O4 — CID 103567600

IUPACN'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
SMILESCOc1cc(OCCOCCC(C)C)cc(/C(N)=N/O)c1
InChIInChI=1S/C15H24N2O4/c1-11(2)4-5-20-6-7-21-14-9-12(15(16)17-18)8-13(10-14)19-3/h8-11,18H,4-7H2,1-3H3,(H2,16,17)
InChIKeyKOVRXOGSFBGRKR-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.23
Rot. Bonds9

About N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide

N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide (PubChem CID 103567600) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
PubChem CID103567600
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide
SMILESCOc1cc(OCCOCCC(C)C)cc(/C(N)=N/O)c1
InChIInChI=1S/C15H24N2O4/c1-11(2)4-5-20-6-7-21-14-9-12(15(16)17-18)8-13(10-14)19-3/h8-11,18H,4-7H2,1-3H3,(H2,16,17)
InChIKeyKOVRXOGSFBGRKR-UHFFFAOYSA-N
XLogP2.23
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-methoxy-5-(3-methylsulfanylpropoxy)benzenecarboximidamide
CID 103567536
3-[3-(dimethylamino)propoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567608
3-methoxy-5-(3-methylbutoxy)benzenecarboximidamide
CID 103567659
N'-hydroxy-3-methoxy-5-(2-propylsulfonylethoxy)benzenecarboximidamide
CID 106725416
N-[1-[4-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 61484376
3-methoxy-5-(2-propoxyethoxy)benzenecarbothioamide
CID 106452870
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-3-(3-imidazol-1-ylpropoxy)-5-methoxybenzenecarboximidamide
CID 103567567
N'-hydroxy-3-methoxy-5-[(1-methylpyrazol-3-yl)methoxy]benzenecarboximidamide
CID 103567501

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide (CID 103567600) is N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide is COc1cc(OCCOCCC(C)C)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide?
The InChIKey is KOVRXOGSFBGRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(2)4-5-20-6-7-21-14-9-12(15(16)17-18)8-13(10-14)19-3/h8-11,18H,4-7H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide?
N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide has a molecular weight of 296.37 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-5-[2-(3-methylbutoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 103567600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).