N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide

C13H20ClN3O3 — CID 58861095

IUPACN'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide
SMILESCOCCN(CCOC)c1ccc(/N=C/NO)cc1Cl
InChIInChI=1S/C13H20ClN3O3/c1-19-7-5-17(6-8-20-2)13-4-3-11(9-12(13)14)15-10-16-18/h3-4,9-10,18H,5-8H2,1-2H3,(H,15,16)
InChIKeyDRZDIYKKBRJDQL-UHFFFAOYSA-N
MW301.77 g/mol
LogP2.08
Rot. Bonds9

About N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide

N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide (PubChem CID 58861095) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide
PubChem CID58861095
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC NameN'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide
SMILESCOCCN(CCOC)c1ccc(/N=C/NO)cc1Cl
InChIInChI=1S/C13H20ClN3O3/c1-19-7-5-17(6-8-20-2)13-4-3-11(9-12(13)14)15-10-16-18/h3-4,9-10,18H,5-8H2,1-2H3,(H,15,16)
InChIKeyDRZDIYKKBRJDQL-UHFFFAOYSA-N
XLogP2.08
TPSA66.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide (CID 58861095) is N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide is COCCN(CCOC)c1ccc(/N=C/NO)cc1Cl.
What is the InChIKey of N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide?
The InChIKey is DRZDIYKKBRJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-19-7-5-17(6-8-20-2)13-4-3-11(9-12(13)14)15-10-16-18/h3-4,9-10,18H,5-8H2,1-2H3,(H,15,16).
What are the key properties of N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide?
N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide has a molecular weight of 301.77 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[bis(2-methoxyethyl)amino]-3-chlorophenyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 58861095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).