N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine

C15H14N2O5 — CID 142496937

IUPACN-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)cc([N+](=O)[O-])c1OCc1ccccc1
InChIInChI=1S/C15H14N2O5/c1-21-14-8-12(9-16-18)7-13(17(19)20)15(14)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyFIIMCWCVERTYIZ-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.99
Rot. Bonds6

About N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine

N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine (PubChem CID 142496937) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
PubChem CID142496937
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)cc([N+](=O)[O-])c1OCc1ccccc1
InChIInChI=1S/C15H14N2O5/c1-21-14-8-12(9-16-18)7-13(17(19)20)15(14)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyFIIMCWCVERTYIZ-UHFFFAOYSA-N
XLogP2.99
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine 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

N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841922
N-[(E)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509605
4-hydroxy-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110509401
2-(4-aminophenyl)-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110515122
1-cyclohexyl-3-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 110530252
N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110531698
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842185
4-methoxy-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]aniline
CID 110508966
2-amino-N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 110510231
4-chloro-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]-5-nitrophenyl]methylideneamino]aniline
CID 110506111
N-[(E)-(3-methoxy-5-nitro-4-propoxyphenyl)methylideneamino]aniline
CID 110504876
4-[(3-fluorophenyl)methoxy]-3-methoxy-5-nitrobenzaldehyde
CID 82057207

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine (CID 142496937) is N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine is COc1cc(C=NO)cc([N+](=O)[O-])c1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is FIIMCWCVERTYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-14-8-12(9-16-18)7-13(17(19)20)15(14)22-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3.
What are the key properties of N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine?
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 302.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 142496937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).