(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine

C15H21NO4 — CID 118010666

IUPAC(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine
SMILESC=C[C@H](C[C@H](/C=N/O)OCc1ccccc1)OCOC
InChIInChI=1S/C15H21NO4/c1-3-14(20-12-18-2)9-15(10-16-17)19-11-13-7-5-4-6-8-13/h3-8,10,14-15,17H,1,9,11-12H2,2H3/b16-10+/t14-,15-/m1/s1
InChIKeyHSTFOZCBYGKFOF-BAQSSVPWSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds10

About (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine

(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine (PubChem CID 118010666) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine
PubChem CID118010666
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine
SMILESC=C[C@H](C[C@H](/C=N/O)OCc1ccccc1)OCOC
InChIInChI=1S/C15H21NO4/c1-3-14(20-12-18-2)9-15(10-16-17)19-11-13-7-5-4-6-8-13/h3-8,10,14-15,17H,1,9,11-12H2,2H3/b16-10+/t14-,15-/m1/s1
InChIKeyHSTFOZCBYGKFOF-BAQSSVPWSA-N
XLogP2.60
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine (CID 118010666) is (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine is C=C[C@H](C[C@H](/C=N/O)OCc1ccccc1)OCOC.
What is the InChIKey of (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
The InChIKey is HSTFOZCBYGKFOF-BAQSSVPWSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-14(20-12-18-2)9-15(10-16-17)19-11-13-7-5-4-6-8-13/h3-8,10,14-15,17H,1,9,11-12H2,2H3/b16-10+/t14-,15-/m1/s1.
What are the key properties of (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine?
(NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine has a molecular weight of 279.34 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R,4S)-4-(methoxymethoxy)-2-phenylmethoxyhex-5-enylidene]hydroxylamine is sourced from PubChem (CID 118010666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).