(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine

C12H17NO3 — CID 82001380

IUPAC(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-8(2)16-12-7-10(15-4)5-6-11(12)9(3)13-14/h5-8,14H,1-4H3/b13-9+
InChIKeyVQKLRYHYUCDWNV-UKTHLTGXSA-N
MW223.27 g/mol
LogP2.68
Rot. Bonds4

About (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine (PubChem CID 82001380) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
PubChem CID82001380
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)c(OC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-8(2)16-12-7-10(15-4)5-6-11(12)9(3)13-14/h5-8,14H,1-4H3/b13-9+
InChIKeyVQKLRYHYUCDWNV-UKTHLTGXSA-N
XLogP2.68
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(2,2-difluoroethoxy)-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82001759
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 82001926
(NE)-N-[1-[4-methoxy-2-[2-(3-methylbutoxy)ethoxy]phenyl]ethylidene]hydroxylamine
CID 82002244
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]pentan-1-ol
CID 82001458
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
3-[[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]methyl]pentan-3-ol
CID 114494193
(NE)-N-[1-[2-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]ethylidene]hydroxylamine
CID 82003192
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
N-(2,5-dimethylphenyl)-4-methoxy-2-propan-2-yloxybenzamide
CID 119046619

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine (CID 82001380) is (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)c(OC(C)C)c1.
What is the InChIKey of (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine?
The InChIKey is VQKLRYHYUCDWNV-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(2)16-12-7-10(15-4)5-6-11(12)9(3)13-14/h5-8,14H,1-4H3/b13-9+.
What are the key properties of (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine has a molecular weight of 223.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methoxy-2-propan-2-yloxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 82001380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).