1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone

C19H19N3O5 — CID 126243299

IUPAC1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
SMILESO=C(COc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1
InChIInChI=1S/C19H19N3O5/c23-19(21-8-10-26-11-9-21)14-27-18-6-4-15(5-7-18)13-20-16-2-1-3-17(12-16)22(24)25/h1-7,12-13H,8-11,14H2/b20-13+
InChIKeyJAFWDHQJMZILRY-DEDYPNTBSA-N
MW369.38 g/mol
LogP2.58
Rot. Bonds6

About 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone

1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone (PubChem CID 126243299) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
PubChem CID126243299
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
SMILESO=C(COc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1
InChIInChI=1S/C19H19N3O5/c23-19(21-8-10-26-11-9-21)14-27-18-6-4-15(5-7-18)13-20-16-2-1-3-17(12-16)22(24)25/h1-7,12-13H,8-11,14H2/b20-13+
InChIKeyJAFWDHQJMZILRY-DEDYPNTBSA-N
XLogP2.58
TPSA94.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126243345
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(N-methylsulfonyl-3-nitroanilino)-N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]acetamide
CID 126030817
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682150
(E)-1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-en-1-one
CID 682151

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone (CID 126243299) is 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone is O=C(COc1ccc(/C=N/c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone?
The InChIKey is JAFWDHQJMZILRY-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-19(21-8-10-26-11-9-21)14-27-18-6-4-15(5-7-18)13-20-16-2-1-3-17(12-16)22(24)25/h1-7,12-13H,8-11,14H2/b20-13+.
What are the key properties of 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone?
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone has a molecular weight of 369.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone is sourced from PubChem (CID 126243299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).