1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone

C19H21N3O3 — CID 126022835

IUPAC1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
SMILESO=C(COc1ccc(/C=N/Nc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C19H21N3O3/c23-19(22-10-12-24-13-11-22)15-25-18-8-6-16(7-9-18)14-20-21-17-4-2-1-3-5-17/h1-9,14,21H,10-13,15H2/b20-14+
InChIKeySXJLYERZBGVRLR-XSFVSMFZSA-N
MW339.40 g/mol
LogP2.37
Rot. Bonds6

About 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone

1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone (PubChem CID 126022835) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
PubChem CID126022835
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
SMILESO=C(COc1ccc(/C=N/Nc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C19H21N3O3/c23-19(22-10-12-24-13-11-22)15-25-18-8-6-16(7-9-18)14-20-21-17-4-2-1-3-5-17/h1-9,14,21H,10-13,15H2/b20-14+
InChIKeySXJLYERZBGVRLR-XSFVSMFZSA-N
XLogP2.37
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 1104562
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
2-[2-methoxy-4-[(Z)-[(4-methylphenyl)hydrazinylidene]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 9059552
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone (CID 126022835) is 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone is O=C(COc1ccc(/C=N/Nc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone?
The InChIKey is SXJLYERZBGVRLR-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(22-10-12-24-13-11-22)15-25-18-8-6-16(7-9-18)14-20-21-17-4-2-1-3-5-17/h1-9,14,21H,10-13,15H2/b20-14+.
What are the key properties of 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone?
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone has a molecular weight of 339.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone is sourced from PubChem (CID 126022835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).