[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate

C20H21N3O4 — CID 20845203

IUPAC[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate
SMILESN/N=C(/C(=O)CN1CCOCC1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4/c21-22-19(18(24)14-23-10-12-26-13-11-23)15-6-8-17(9-7-15)27-20(25)16-4-2-1-3-5-16/h1-9H,10-14,21H2/b22-19+
InChIKeyWMBZPBZLJFRLCI-ZBJSNUHESA-N
MW367.41 g/mol
LogP1.47
Rot. Bonds6

About [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate

[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate (PubChem CID 20845203) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate.

Molecular Properties

Compound Name[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate
PubChem CID20845203
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate
SMILESN/N=C(/C(=O)CN1CCOCC1)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4/c21-22-19(18(24)14-23-10-12-26-13-11-23)15-6-8-17(9-7-15)27-20(25)16-4-2-1-3-5-16/h1-9H,10-14,21H2/b22-19+
InChIKeyWMBZPBZLJFRLCI-ZBJSNUHESA-N
XLogP1.47
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[4-(morpholin-4-ylmethyl)phenyl]-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300327
[4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 780934
[4-[2-(4-methoxyphenyl)-2-oxoethanehydrazonoyl]phenyl] benzoate
CID 22300297
4-[4-[7-[13-[7-[4-(4-carboxyphenoxy)carbonylphenoxy]heptyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]heptoxy]benzoyl]oxybenzoic acid
CID 102428299
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate;hydrochloride
CID 163329175
[5-(morpholin-4-ylmethyl)thiophen-2-yl] benzoate
CID 174515356
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
2-benzoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040781
phenyl 3-morpholin-4-ylpropanoate
CID 12036172
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] benzoate
CID 7868503
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080

Frequently Asked Questions

What is the IUPAC name of [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate?
The IUPAC name of [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate (CID 20845203) is [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate.
What is the SMILES notation for [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate?
The canonical SMILES for [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate is N/N=C(/C(=O)CN1CCOCC1)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate?
The InChIKey is WMBZPBZLJFRLCI-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H21N3O4/c21-22-19(18(24)14-23-10-12-26-13-11-23)15-6-8-17(9-7-15)27-20(25)16-4-2-1-3-5-16/h1-9H,10-14,21H2/b22-19+.
What are the key properties of [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate?
[4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate has a molecular weight of 367.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-morpholin-4-yl-2-oxopropanehydrazonoyl)phenyl] benzoate is sourced from PubChem (CID 20845203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).