(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine

C14H20N2O4 — CID 10516865

IUPAC(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine
SMILESCOc1ccc(C(/C=N/O)N2CCOCC2)cc1OC
InChIInChI=1S/C14H20N2O4/c1-18-13-4-3-11(9-14(13)19-2)12(10-15-17)16-5-7-20-8-6-16/h3-4,9-10,12,17H,5-8H2,1-2H3/b15-10+
InChIKeyYFMPJGKEHATYKT-XNTDXEJSSA-N
MW280.32 g/mol
LogP1.54
Rot. Bonds5

About (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine

(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine (PubChem CID 10516865) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine
PubChem CID10516865
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine
SMILESCOc1ccc(C(/C=N/O)N2CCOCC2)cc1OC
InChIInChI=1S/C14H20N2O4/c1-18-13-4-3-11(9-14(13)19-2)12(10-15-17)16-5-7-20-8-6-16/h3-4,9-10,12,17H,5-8H2,1-2H3/b15-10+
InChIKeyYFMPJGKEHATYKT-XNTDXEJSSA-N
XLogP1.54
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110933783
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110914487
1-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-methylguanidine
CID 110029472
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide
CID 110919680
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919679
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111124419
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925124
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111028252

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine (CID 10516865) is (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine is COc1ccc(C(/C=N/O)N2CCOCC2)cc1OC.
What is the InChIKey of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
The InChIKey is YFMPJGKEHATYKT-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-13-4-3-11(9-14(13)19-2)12(10-15-17)16-5-7-20-8-6-16/h3-4,9-10,12,17H,5-8H2,1-2H3/b15-10+.
What are the key properties of (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine?
(NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine has a molecular weight of 280.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethylidene]hydroxylamine is sourced from PubChem (CID 10516865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).