(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine

C13H19NO3 — CID 54935980

IUPAC(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCCCOC
InChIInChI=1S/C13H19NO3/c1-3-12(14-15)11-7-4-5-8-13(11)17-10-6-9-16-2/h4-5,7-8,15H,3,6,9-10H2,1-2H3/b14-12+
InChIKeyMEYKLHCMPLXJET-WYMLVPIESA-N
MW237.30 g/mol
LogP2.69
Rot. Bonds7

About (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine

(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine (PubChem CID 54935980) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
PubChem CID54935980
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine
SMILESCC/C(=N\O)c1ccccc1OCCCOC
InChIInChI=1S/C13H19NO3/c1-3-12(14-15)11-7-4-5-8-13(11)17-10-6-9-16-2/h4-5,7-8,15H,3,6,9-10H2,1-2H3/b14-12+
InChIKeyMEYKLHCMPLXJET-WYMLVPIESA-N
XLogP2.69
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.69
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

N-[1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propylidene]hydroxylamine
CID 76905202
(NE)-N-[1-[2-[2-(diethylamino)ethoxy]phenyl]propylidene]hydroxylamine
CID 43185548
5-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-2,2-dimethylpentanenitrile
CID 77063014
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
3-[2-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]propane-1,2-diol
CID 82849492
ethyl 2-(3-methoxypropoxy)benzoate
CID 54075069
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 76905153
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine (CID 54935980) is (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine is CC/C(=N\O)c1ccccc1OCCCOC.
What is the InChIKey of (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine?
The InChIKey is MEYKLHCMPLXJET-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-12(14-15)11-7-4-5-8-13(11)17-10-6-9-16-2/h4-5,7-8,15H,3,6,9-10H2,1-2H3/b14-12+.
What are the key properties of (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine?
(NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine has a molecular weight of 237.30 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-(3-methoxypropoxy)phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 54935980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).