(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine

C14H19NO4 — CID 82001539

IUPAC(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCC2CCCO2)c1
InChIInChI=1S/C14H19NO4/c1-10(15-16)13-6-5-11(17-2)8-14(13)19-9-12-4-3-7-18-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3/b15-10+
InChIKeyVDZDKCRSUOCIHA-XNTDXEJSSA-N
MW265.31 g/mol
LogP2.45
Rot. Bonds5

About (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine (PubChem CID 82001539) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
PubChem CID82001539
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OCC2CCCO2)c1
InChIInChI=1S/C14H19NO4/c1-10(15-16)13-6-5-11(17-2)8-14(13)19-9-12-4-3-7-18-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3/b15-10+
InChIKeyVDZDKCRSUOCIHA-XNTDXEJSSA-N
XLogP2.45
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(NE)-N-[1-[4-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002078
(NE)-N-[1-[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]ethylidene]hydroxylamine
CID 82003088
4-methoxy-2-(oxan-2-ylmethoxy)benzenecarbothioamide
CID 81303078
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 61267945
[5-methoxy-2-(oxan-2-ylmethoxy)phenyl]methanol
CID 43591968
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
3-[5-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 104706417
(NE)-N-[1-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82001759

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine (CID 82001539) is (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)c(OCC2CCCO2)c1.
What is the InChIKey of (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
The InChIKey is VDZDKCRSUOCIHA-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(15-16)13-6-5-11(17-2)8-14(13)19-9-12-4-3-7-18-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3/b15-10+.
What are the key properties of (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine has a molecular weight of 265.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 82001539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).