(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine

C15H23NO3 — CID 112589710

IUPAC(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-5-14(16-17)12-6-8-13(9-7-12)18-10-11-19-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3/b16-14-
InChIKeyPKMHELFCUPMAAS-PEZBUJJGSA-N
MW265.35 g/mol
LogP3.47
Rot. Bonds6

About (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine (PubChem CID 112589710) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
PubChem CID112589710
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-5-14(16-17)12-6-8-13(9-7-12)18-10-11-19-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3/b16-14-
InChIKeyPKMHELFCUPMAAS-PEZBUJJGSA-N
XLogP3.47
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
CID 115514140
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
(NE)-N-[1-(4-methoxyphenyl)propylidene]hydroxylamine
CID 13182701
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
1-[4-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-3-methoxypropan-2-ol
CID 77013431
N-[1-[4-(2-thiophen-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 77005612
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boronic acid
CID 54970401
N-[1-[4-(cyclopentylmethoxy)phenyl]propylidene]hydroxylamine
CID 61342447
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine (CID 112589710) is (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccc(OCCOC(C)(C)C)cc1.
What is the InChIKey of (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is PKMHELFCUPMAAS-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-14(16-17)12-6-8-13(9-7-12)18-10-11-19-15(2,3)4/h6-9,17H,5,10-11H2,1-4H3/b16-14-.
What are the key properties of (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 265.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 112589710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).