N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

C13H20N2O3 — CID 103033917

IUPACN'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILESCOC(C)(C)CCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,17-3)8-9-18-11-6-4-10(5-7-11)12(14)15-16/h4-7,16H,8-9H2,1-3H3,(H2,14,15)
InChIKeyZKEVOOIIZYUQJP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds6

About N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide

N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (PubChem CID 103033917) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
PubChem CID103033917
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
SMILESCOC(C)(C)CCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H20N2O3/c1-13(2,17-3)8-9-18-11-6-4-10(5-7-11)12(14)15-16/h4-7,16H,8-9H2,1-3H3,(H2,14,15)
InChIKeyZKEVOOIIZYUQJP-UHFFFAOYSA-N
XLogP1.98
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
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'}

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Related Compounds

(NE)-N-[1-[4-(3-methoxy-3-methylbutoxy)phenyl]ethylidene]hydroxylamine
CID 103033958
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
3-bromo-N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665807
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
4-[2-(dimethylamino)-2-methylpropoxy]-N'-hydroxybenzenecarboximidamide
CID 79679480
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide (CID 103033917) is N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is COC(C)(C)CCOc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
The InChIKey is ZKEVOOIIZYUQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,17-3)8-9-18-11-6-4-10(5-7-11)12(14)15-16/h4-7,16H,8-9H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide?
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide has a molecular weight of 252.31 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide is sourced from PubChem (CID 103033917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).