2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate

C16H23N3O3 — CID 15746255

IUPAC2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate
SMILESCC(=O)OCC/N=C(\C)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-13(17-7-10-22-14(2)20)18-15-5-3-4-6-16(15)19-8-11-21-12-9-19/h3-6H,7-12H2,1-2H3,(H,17,18)
InChIKeyGDRFPNKEGVXWST-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.92
Rot. Bonds5

About 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate

2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate (PubChem CID 15746255) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate.

Molecular Properties

Compound Name2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate
PubChem CID15746255
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate
SMILESCC(=O)OCC/N=C(\C)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C16H23N3O3/c1-13(17-7-10-22-14(2)20)18-15-5-3-4-6-16(15)19-8-11-21-12-9-19/h3-6H,7-12H2,1-2H3,(H,17,18)
InChIKeyGDRFPNKEGVXWST-UHFFFAOYSA-N
XLogP1.92
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
2-(2-aminoethoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 79473131
N',N'-bis(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527466
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(3-butoxypropyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108506578

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?
The IUPAC name of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate (CID 15746255) is 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate.
What is the SMILES notation for 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?
The canonical SMILES for 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate is CC(=O)OCC/N=C(\C)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?
The InChIKey is GDRFPNKEGVXWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(17-7-10-22-14(2)20)18-15-5-3-4-6-16(15)19-8-11-21-12-9-19/h3-6H,7-12H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate?
2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate has a molecular weight of 305.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-morpholin-4-ylanilino)ethylideneamino]ethyl acetate is sourced from PubChem (CID 15746255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).