(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine

C32H40ClFN2O4Si — CID 87398833

IUPAC(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine
SMILESCOC/C(=N\O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1F
InChIInChI=1S/C32H40ClFN2O4Si/c1-22-18-36(19-23(2)40-22)31-24(17-27(30(34)29(31)33)28(35-37)21-38-6)20-39-41(32(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-17,22-23,37H,18-21H2,1-6H3/b35-28+/t22-,23+
InChIKeyCNIJKXYUROQOGN-XBRIYBJJSA-N
MW599.22 g/mol
LogP5.99
Rot. Bonds9

About (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine

(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine (PubChem CID 87398833) has the molecular formula C32H40ClFN2O4Si and a molecular weight of 599.22 g/mol. Its IUPAC name is (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine
PubChem CID87398833
Molecular FormulaC32H40ClFN2O4Si
Molecular Weight599.22 g/mol
Exact Mass598.24
IUPAC Name(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine
SMILESCOC/C(=N\O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1F
InChIInChI=1S/C32H40ClFN2O4Si/c1-22-18-36(19-23(2)40-22)31-24(17-27(30(34)29(31)33)28(35-37)21-38-6)20-39-41(32(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-17,22-23,37H,18-21H2,1-6H3/b35-28+/t22-,23+
InChIKeyCNIJKXYUROQOGN-XBRIYBJJSA-N
XLogP5.99
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.22
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine (CID 87398833) is (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine is COC/C(=N\O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1F.
What is the InChIKey of (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine?
The InChIKey is CNIJKXYUROQOGN-XBRIYBJJSA-N. The full InChI is InChI=1S/C32H40ClFN2O4Si/c1-22-18-36(19-23(2)40-22)31-24(17-27(30(34)29(31)33)28(35-37)21-38-6)20-39-41(32(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-17,22-23,37H,18-21H2,1-6H3/b35-28+/t22-,23+.
What are the key properties of (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine?
(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine has a molecular weight of 599.22 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine is sourced from PubChem (CID 87398833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).