N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine

C21H18N2O5 — CID 71951323

IUPACN-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(OCCOc2ccc(C(=NO)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O5/c24-22-21(16-4-2-1-3-5-16)17-6-10-19(11-7-17)27-14-15-28-20-12-8-18(9-13-20)23(25)26/h1-13,24H,14-15H2
InChIKeyMPMHHNIIGVZOOB-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.28
Rot. Bonds8

About N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine

N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 71951323) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
PubChem CID71951323
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(OCCOc2ccc(C(=NO)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H18N2O5/c24-22-21(16-4-2-1-3-5-16)17-6-10-19(11-7-17)27-14-15-28-20-12-8-18(9-13-20)23(25)26/h1-13,24H,14-15H2
InChIKeyMPMHHNIIGVZOOB-UHFFFAOYSA-N
XLogP4.28
TPSA94.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine (CID 71951323) is N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine is O=[N+]([O-])c1ccc(OCCOc2ccc(C(=NO)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is MPMHHNIIGVZOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-22-21(16-4-2-1-3-5-16)17-6-10-19(11-7-17)27-14-15-28-20-12-8-18(9-13-20)23(25)26/h1-13,24H,14-15H2.
What are the key properties of N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine?
N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 378.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-nitrophenoxy)ethoxy]phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 71951323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).