4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride

C23H28ClN3O6 — CID 163329179

IUPAC4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride
SMILESCCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C23H27N3O6.ClH/c1-2-31-21-13-18(14-24-25-22(27)15-26-9-11-30-12-10-26)5-8-20(21)32-16-17-3-6-19(7-4-17)23(28)29;/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,25,27)(H,28,29);1H/b24-14+;
InChIKeyUWBWNYOYOHOVIH-SXMBIPSUSA-N
MW477.95 g/mol
LogP2.57
Rot. Bonds10

About 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride

4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride (PubChem CID 163329179) has the molecular formula C23H28ClN3O6 and a molecular weight of 477.95 g/mol. Its IUPAC name is 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride
PubChem CID163329179
Molecular FormulaC23H28ClN3O6
Molecular Weight477.95 g/mol
Exact Mass477.17
IUPAC Name4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride
SMILESCCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1.Cl
InChIInChI=1S/C23H27N3O6.ClH/c1-2-31-21-13-18(14-24-25-22(27)15-26-9-11-30-12-10-26)5-8-20(21)32-16-17-3-6-19(7-4-17)23(28)29;/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,25,27)(H,28,29);1H/b24-14+;
InChIKeyUWBWNYOYOHOVIH-SXMBIPSUSA-N
XLogP2.57
TPSA109.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride with MolForge

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Related Compounds

N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126018159
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 3696139
N-[(E)-(4-ethoxy-3-iodophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 126007524
N-[(E)-[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533906
N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6876349
4-[[2-ethoxy-4-[(E)-[(4-ethoxy-3-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126321160
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 124533896
1-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508421
2-(4-benzylpiperazin-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3846849
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 3826307
N-[(E)-[3-iodo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126001819
4-[[2-ethoxy-4-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126331066

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride (CID 163329179) is 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride is CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1.Cl.
What is the InChIKey of 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride?
The InChIKey is UWBWNYOYOHOVIH-SXMBIPSUSA-N. The full InChI is InChI=1S/C23H27N3O6.ClH/c1-2-31-21-13-18(14-24-25-22(27)15-26-9-11-30-12-10-26)5-8-20(21)32-16-17-3-6-19(7-4-17)23(28)29;/h3-8,13-14H,2,9-12,15-16H2,1H3,(H,25,27)(H,28,29);1H/b24-14+;.
What are the key properties of 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride?
4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride has a molecular weight of 477.95 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxy-4-[(E)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 163329179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).