N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

C13H17N3O3 — CID 135898016

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H17N3O3/c17-12-3-1-11(2-4-12)9-14-15-13(18)10-16-5-7-19-8-6-16/h1-4,9,17H,5-8,10H2,(H,15,18)/b14-9-
InChIKeyYHCRHOHHIUQZJJ-ZROIWOOFSA-N
MW263.30 g/mol
LogP0.17
Rot. Bonds4

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 135898016) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID135898016
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C13H17N3O3/c17-12-3-1-11(2-4-12)9-14-15-13(18)10-16-5-7-19-8-6-16/h1-4,9,17H,5-8,10H2,(H,15,18)/b14-9-
InChIKeyYHCRHOHHIUQZJJ-ZROIWOOFSA-N
XLogP0.17
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide (CID 135898016) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)N/N=C\c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is YHCRHOHHIUQZJJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12-3-1-11(2-4-12)9-14-15-13(18)10-16-5-7-19-8-6-16/h1-4,9,17H,5-8,10H2,(H,15,18)/b14-9-.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 135898016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).