2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide

C17H19N3O2 — CID 6894999

IUPAC2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-18-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H,19,21)/b18-12+
InChIKeyRAMCIAMKCIOPKA-LDADJPATSA-N
MW297.36 g/mol
LogP1.62
Rot. Bonds4

About 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide

2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 6894999) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID6894999
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
SMILESO=C(CN1CCOCC1)N/N=C/c1cccc2ccccc12
InChIInChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-18-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H,19,21)/b18-12+
InChIKeyRAMCIAMKCIOPKA-LDADJPATSA-N
XLogP1.62
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide (CID 6894999) is 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide is O=C(CN1CCOCC1)N/N=C/c1cccc2ccccc12.
What is the InChIKey of 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is RAMCIAMKCIOPKA-LDADJPATSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(13-20-8-10-22-11-9-20)19-18-12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H,19,21)/b18-12+.
What are the key properties of 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide?
2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 297.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 6894999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).