N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide

C13H20N2O3 — CID 61300990

IUPACN'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
SMILESCC(C)COCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N2O3/c1-10(2)9-17-7-8-18-12-5-3-11(4-6-12)13(14)15-16/h3-6,10,16H,7-9H2,1-2H3,(H2,14,15)
InChIKeyZVGRTLJCTVFTJT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.83
Rot. Bonds7

About N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide (PubChem CID 61300990) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
PubChem CID61300990
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
SMILESCC(C)COCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N2O3/c1-10(2)9-17-7-8-18-12-5-3-11(4-6-12)13(14)15-16/h3-6,10,16H,7-9H2,1-2H3,(H2,14,15)
InChIKeyZVGRTLJCTVFTJT-UHFFFAOYSA-N
XLogP1.83
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.83
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide (CID 61300990) is N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide is CC(C)COCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
The InChIKey is ZVGRTLJCTVFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)9-17-7-8-18-12-5-3-11(4-6-12)13(14)15-16/h3-6,10,16H,7-9H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide has a molecular weight of 252.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61300990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).