tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane

C19H27N2O6P — CID 7689522

IUPACtert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane
SMILESCOCCO[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C
InChIInChI=1S/C19H27N2O6P/c1-14-7-10-18(27-14)28(19(2,3)4,26-12-11-24-5)20-16-13-15(21(22)23)8-9-17(16)25-6/h7-10,13H,11-12H2,1-6H3/t28-/m1/s1
InChIKeyJZYRAIBJAREGHY-MUUNZHRXSA-N
MW410.41 g/mol
LogP5.04
Rot. Bonds8

About tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane

tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane (PubChem CID 7689522) has the molecular formula C19H27N2O6P and a molecular weight of 410.41 g/mol. Its IUPAC name is tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane.

Molecular Properties

Compound Nametert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane
PubChem CID7689522
Molecular FormulaC19H27N2O6P
Molecular Weight410.41 g/mol
Exact Mass410.16
IUPAC Nametert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane
SMILESCOCCO[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C
InChIInChI=1S/C19H27N2O6P/c1-14-7-10-18(27-14)28(19(2,3)4,26-12-11-24-5)20-16-13-15(21(22)23)8-9-17(16)25-6/h7-10,13H,11-12H2,1-6H3/t28-/m1/s1
InChIKeyJZYRAIBJAREGHY-MUUNZHRXSA-N
XLogP5.04
TPSA96.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(2-ethoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane
CID 7689586
(2-bromo-5-nitrophenyl)imino-tert-butyl-(5-methylfuran-2-yl)-quinolin-8-yloxy-λ5-phosphane
CID 97354586
tert-butyl-(2,4-dibromophenoxy)-(2-methoxy-5-nitrophenyl)imino-pyridin-4-yl-λ5-phosphane
CID 4224578
dimethyl 2-(2-methoxy-5-nitrophenyl)iminobutanedioate
CID 71391978
N-(1,3-dichloro-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104784855
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
CID 30481637
N'-(2-methoxy-5-nitrobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 9277093
N-(2-methoxy-5-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 5154000
2-methoxy-4-nitrophenol;phosphoric acid
CID 174688966
N'-hydroxy-4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 77062541
4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65248150
2-amino-2-ethyl-N-(2-methoxy-5-nitrophenyl)butanamide
CID 79809415

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane?
The IUPAC name of tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane (CID 7689522) is tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane.
What is the SMILES notation for tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane?
The canonical SMILES for tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane is COCCO[P@](=Nc1cc([N+](=O)[O-])ccc1OC)(c1ccc(C)o1)C(C)(C)C.
What is the InChIKey of tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane?
The InChIKey is JZYRAIBJAREGHY-MUUNZHRXSA-N. The full InChI is InChI=1S/C19H27N2O6P/c1-14-7-10-18(27-14)28(19(2,3)4,26-12-11-24-5)20-16-13-15(21(22)23)8-9-17(16)25-6/h7-10,13H,11-12H2,1-6H3/t28-/m1/s1.
What are the key properties of tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane?
tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane has a molecular weight of 410.41 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-methoxyethoxy)-(2-methoxy-5-nitrophenyl)imino-(5-methylfuran-2-yl)-λ5-phosphane is sourced from PubChem (CID 7689522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).