3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide

C15H15N3O4 — CID 82253851

IUPAC3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c1-21-13-8-4-6-11(15(16)17)14(13)22-9-10-5-2-3-7-12(10)18(19)20/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyQJINMRABABAYRR-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.47
Rot. Bonds6

About 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide

3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide (PubChem CID 82253851) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
PubChem CID82253851
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O4/c1-21-13-8-4-6-11(15(16)17)14(13)22-9-10-5-2-3-7-12(10)18(19)20/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyQJINMRABABAYRR-UHFFFAOYSA-N
XLogP2.47
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.47
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-2-[(3-nitrophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253852
3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253849
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
2-[(5-methyl-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030527
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
3-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253777
3-methoxy-2-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82240729
2-(2-carbamimidoyl-6-methoxyphenoxy)-N,N-dimethylacetamide
CID 82253483
2-[(3-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 82240842
2-(2-carbamimidoyl-6-methoxyphenoxy)-N-methylacetamide
CID 82253340
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide (CID 82253851) is 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
The InChIKey is QJINMRABABAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-13-8-4-6-11(15(16)17)14(13)22-9-10-5-2-3-7-12(10)18(19)20/h2-8H,9H2,1H3,(H3,16,17).
What are the key properties of 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide has a molecular weight of 301.30 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 82253851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).