N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide

C15H25N3O3 — CID 107109251

IUPACN'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
SMILESCOCCCN(CCOC)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C15H25N3O3/c1-12-6-4-7-13(15(16)17-19)14(12)18(9-11-21-3)8-5-10-20-2/h4,6-7,19H,5,8-11H2,1-3H3,(H2,16,17)
InChIKeyFHOGAVBWSUSJNK-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.58
Rot. Bonds9

About N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide

N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide (PubChem CID 107109251) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
PubChem CID107109251
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide
SMILESCOCCCN(CCOC)c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C15H25N3O3/c1-12-6-4-7-13(15(16)17-19)14(12)18(9-11-21-3)8-5-10-20-2/h4,6-7,19H,5,8-11H2,1-3H3,(H2,16,17)
InChIKeyFHOGAVBWSUSJNK-UHFFFAOYSA-N
XLogP1.58
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.58
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

3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
2-[2-(dimethylamino)ethyl-propylamino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109308
2-bromo-N'-hydroxy-4-[2-methoxyethyl(3-methoxypropyl)amino]benzenecarboximidamide
CID 107278647
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
N'-hydroxy-3-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzenecarboximidamide
CID 107109273
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109255
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
N'-hydroxy-2-[2-methoxyethyl(2-methylpropyl)amino]-4-methylbenzenecarboximidamide
CID 62308822
2-[butan-2-yl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 54999381
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide (CID 107109251) is N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide is COCCCN(CCOC)c1c(C)cccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide?
The InChIKey is FHOGAVBWSUSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-12-6-4-7-13(15(16)17-19)14(12)18(9-11-21-3)8-5-10-20-2/h4,6-7,19H,5,8-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide?
N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide has a molecular weight of 295.38 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-methoxyethyl(3-methoxypropyl)amino]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).