(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine

C11H16N2O3 — CID 7460924

IUPAC(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine
SMILESCCOc1ccc(/C(=N/O)[C@H](C)NO)cc1
InChIInChI=1S/C11H16N2O3/c1-3-16-10-6-4-9(5-7-10)11(13-15)8(2)12-14/h4-8,12,14-15H,3H2,1-2H3/b13-11+/t8-/m0/s1
InChIKeyZUQNRFAANVNQML-LVBPULCISA-N
MW224.26 g/mol
LogP1.63
Rot. Bonds5

About (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine

(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine (PubChem CID 7460924) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine
PubChem CID7460924
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine
SMILESCCOc1ccc(/C(=N/O)[C@H](C)NO)cc1
InChIInChI=1S/C11H16N2O3/c1-3-16-10-6-4-9(5-7-10)11(13-15)8(2)12-14/h4-8,12,14-15H,3H2,1-2H3/b13-11+/t8-/m0/s1
InChIKeyZUQNRFAANVNQML-LVBPULCISA-N
XLogP1.63
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
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

(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
CID 6161397
4-(4-ethoxyphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414442
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
1-(4-ethoxyphenyl)-2,2,2-trifluoro-N-methylethanimine
CID 21020679
4-(4-ethoxyphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43188257
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4-ethoxybenzamide
CID 77039288
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)propan-1-one
CID 82100788

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine (CID 7460924) is (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine is CCOc1ccc(/C(=N/O)[C@H](C)NO)cc1.
What is the InChIKey of (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine?
The InChIKey is ZUQNRFAANVNQML-LVBPULCISA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-10-6-4-9(5-7-10)11(13-15)8(2)12-14/h4-8,12,14-15H,3H2,1-2H3/b13-11+/t8-/m0/s1.
What are the key properties of (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine?
(NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine has a molecular weight of 224.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(2S)-1-(4-ethoxyphenyl)-2-(hydroxyamino)propylidene]hydroxylamine is sourced from PubChem (CID 7460924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).