3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide

C15H15N3O4 — CID 82253849

IUPAC3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C15H15N3O4/c1-21-14-8-10(15(16)17)6-7-13(14)22-9-11-4-2-3-5-12(11)18(19)20/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyYCVQVMKVAIFNIA-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.47
Rot. Bonds6

About 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide

3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide (PubChem CID 82253849) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
PubChem CID82253849
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCc2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C15H15N3O4/c1-21-14-8-10(15(16)17)6-7-13(14)22-9-11-4-2-3-5-12(11)18(19)20/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyYCVQVMKVAIFNIA-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'}

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Related Compounds

(2-nitrophenyl)methyl 3,4-dimethoxybenzoate
CID 3965784
3-methoxy-2-[(2-nitrophenyl)methoxy]benzenecarboximidamide
CID 82253851
4-[(2,6-dimethoxyphenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82253903
methyl 2-[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]acetate
CID 164723752
2-[(5-methyl-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030527
2-(2-nitrophenyl)ethanimidamide;hydrochloride
CID 172682235
benzyl N'-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamimidothioate
CID 168612358
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
CID 58864026
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
3-methoxy-4-(pyridin-4-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 82253528
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide (CID 82253849) is 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCc2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
The InChIKey is YCVQVMKVAIFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-14-8-10(15(16)17)6-7-13(14)22-9-11-4-2-3-5-12(11)18(19)20/h2-8H,9H2,1H3,(H3,16,17).
What are the key properties of 3-methoxy-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide?
3-methoxy-4-[(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-4-[(2-nitrophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 82253849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).