[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate

C17H24N2O4 — CID 177494744

IUPAC[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate
SMILESCC(=O)O/N=C(\c1cc(C)ccc1O)C(C)CN1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-12-4-5-16(21)15(10-12)17(18-23-14(3)20)13(2)11-19-6-8-22-9-7-19/h4-5,10,13,21H,6-9,11H2,1-3H3/b18-17-
InChIKeyMYPPMTOEILMSIT-ZCXUNETKSA-N
MW320.39 g/mol
LogP1.94
Rot. Bonds5

About [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate

[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate (PubChem CID 177494744) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate.

Molecular Properties

Compound Name[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate
PubChem CID177494744
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate
SMILESCC(=O)O/N=C(\c1cc(C)ccc1O)C(C)CN1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-12-4-5-16(21)15(10-12)17(18-23-14(3)20)13(2)11-19-6-8-22-9-7-19/h4-5,10,13,21H,6-9,11H2,1-3H3/b18-17-
InChIKeyMYPPMTOEILMSIT-ZCXUNETKSA-N
XLogP1.94
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate?
The IUPAC name of [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate (CID 177494744) is [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate.
What is the SMILES notation for [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate?
The canonical SMILES for [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate is CC(=O)O/N=C(\c1cc(C)ccc1O)C(C)CN1CCOCC1.
What is the InChIKey of [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate?
The InChIKey is MYPPMTOEILMSIT-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-4-5-16(21)15(10-12)17(18-23-14(3)20)13(2)11-19-6-8-22-9-7-19/h4-5,10,13,21H,6-9,11H2,1-3H3/b18-17-.
What are the key properties of [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate?
[(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate has a molecular weight of 320.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-(2-hydroxy-5-methylphenyl)-2-methyl-3-morpholin-4-ylpropylidene]amino] acetate is sourced from PubChem (CID 177494744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).