N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide

C25H27N3O3 — CID 78766692

IUPACN-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CO/N=C/c1ccc(N2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-2-28(24-9-5-7-21-6-3-4-8-23(21)24)25(29)19-31-26-18-20-10-12-22(13-11-20)27-14-16-30-17-15-27/h3-13,18H,2,14-17,19H2,1H3/b26-18+
InChIKeyCZPSYLBOPCZBJW-NLRVBDNBSA-N
MW417.51 g/mol
LogP4.08
Rot. Bonds7

About N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide

N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide (PubChem CID 78766692) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide
PubChem CID78766692
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CO/N=C/c1ccc(N2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H27N3O3/c1-2-28(24-9-5-7-21-6-3-4-8-23(21)24)25(29)19-31-26-18-20-10-12-22(13-11-20)27-14-16-30-17-15-27/h3-13,18H,2,14-17,19H2,1H3/b26-18+
InChIKeyCZPSYLBOPCZBJW-NLRVBDNBSA-N
XLogP4.08
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide (CID 78766692) is N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide is CCN(C(=O)CO/N=C/c1ccc(N2CCOCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide?
The InChIKey is CZPSYLBOPCZBJW-NLRVBDNBSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-28(24-9-5-7-21-6-3-4-8-23(21)24)25(29)19-31-26-18-20-10-12-22(13-11-20)27-14-16-30-17-15-27/h3-13,18H,2,14-17,19H2,1H3/b26-18+.
What are the key properties of N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide?
N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide has a molecular weight of 417.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxy-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 78766692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).