[4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate

C20H22N3O4+ — CID 7330116

IUPAC[4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(C[NH+]1CCOCC1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4/c24-19(15-23-10-12-26-13-11-23)22-21-14-16-6-8-18(9-7-16)27-20(25)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,22,24)/p+1/b21-14-
InChIKeyKPZPDNNCBQMLFM-STZFKDTASA-O
MW368.41 g/mol
LogP0.27
Rot. Bonds6

About [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate

[4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 7330116) has the molecular formula C20H22N3O4+ and a molecular weight of 368.41 g/mol. Its IUPAC name is [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID7330116
Molecular FormulaC20H22N3O4+
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(C[NH+]1CCOCC1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O4/c24-19(15-23-10-12-26-13-11-23)22-21-14-16-6-8-18(9-7-16)27-20(25)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,22,24)/p+1/b21-14-
InChIKeyKPZPDNNCBQMLFM-STZFKDTASA-O
XLogP0.27
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
N-[(4-bromophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 3458621
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7025797
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
[4-[[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 1202103
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(Z)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 124541241
[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3965877
[4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4249598

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate (CID 7330116) is [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate is O=C(C[NH+]1CCOCC1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is KPZPDNNCBQMLFM-STZFKDTASA-O. The full InChI is InChI=1S/C20H21N3O4/c24-19(15-23-10-12-26-13-11-23)22-21-14-16-6-8-18(9-7-16)27-20(25)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2,(H,22,24)/p+1/b21-14-.
What are the key properties of [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate?
[4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 368.41 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(2-morpholin-4-ium-4-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 7330116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).