4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide

C13H20ClN3O3 — CID 76981602

IUPAC4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESCOCCN(CCOC)c1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3/c1-19-7-5-17(6-8-20-2)10-3-4-11(12(14)9-10)13(15)16-18/h3-4,9,18H,5-8H2,1-2H3,(H2,15,16)
InChIKeyNEULLZGTJJGECC-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.53
Rot. Bonds8

About 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide

4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 76981602) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID76981602
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
SMILESCOCCN(CCOC)c1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C13H20ClN3O3/c1-19-7-5-17(6-8-20-2)10-3-4-11(12(14)9-10)13(15)16-18/h3-4,9,18H,5-8H2,1-2H3,(H2,15,16)
InChIKeyNEULLZGTJJGECC-UHFFFAOYSA-N
XLogP1.53
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473
2-chloro-4-(dibutylamino)-N'-hydroxybenzenecarboximidamide
CID 76997817
2-bromo-N'-hydroxy-4-[2-methoxyethyl(3-methoxypropyl)amino]benzenecarboximidamide
CID 107278647
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981453
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
methyl 3-[4-carbamothioyl-3-chloro-N-(2-methoxyethyl)anilino]propanoate
CID 115534776
2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79387458
2-chloro-N'-hydroxy-4-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981432
2-chloro-4-[ethyl(2-methylbutyl)amino]-N'-hydroxybenzenecarboximidamide
CID 79477944
4-chloro-N'-hydroxy-2-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 76985005
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
2-chloro-N'-hydroxy-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200030

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide (CID 76981602) is 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide is COCCN(CCOC)c1ccc(C(N)=NO)c(Cl)c1.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is NEULLZGTJJGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-19-7-5-17(6-8-20-2)10-3-4-11(12(14)9-10)13(15)16-18/h3-4,9,18H,5-8H2,1-2H3,(H2,15,16).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide?
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 301.77 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76981602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).