N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide

C14H23N3O3 — CID 103409993

IUPACN'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
SMILESCOCCOCCCN(C)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H23N3O3/c1-17(7-4-8-20-10-9-19-2)13-6-3-5-12(11-13)14(15)16-18/h3,5-6,11,18H,4,7-10H2,1-2H3,(H2,15,16)
InChIKeyNNYVRRWUXAKFEK-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.27
Rot. Bonds9

About N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide

N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide (PubChem CID 103409993) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
PubChem CID103409993
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
SMILESCOCCOCCCN(C)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H23N3O3/c1-17(7-4-8-20-10-9-19-2)13-6-3-5-12(11-13)14(15)16-18/h3,5-6,11,18H,4,7-10H2,1-2H3,(H2,15,16)
InChIKeyNNYVRRWUXAKFEK-UHFFFAOYSA-N
XLogP1.27
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.27
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-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
CID 76979517
3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile
CID 103409785
N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
N'-hydroxy-3-[[2-methoxyethyl(methyl)amino]methyl]benzenecarboximidamide
CID 55135155
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637
3-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]benzenecarboximidamide
CID 62971703
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzenecarbothioamide
CID 103409817

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide (CID 103409993) is N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide is COCCOCCCN(C)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide?
The InChIKey is NNYVRRWUXAKFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-17(7-4-8-20-10-9-19-2)13-6-3-5-12(11-13)14(15)16-18/h3,5-6,11,18H,4,7-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide?
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide has a molecular weight of 281.36 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 103409993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).