2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide

C17H27FN4O3 — CID 111684646

IUPAC2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCC(C)Oc1ccccc1F
InChIInChI=1S/C17H27FN4O3/c1-4-19-17(22-12-16(23)20-9-10-24-3)21-11-13(2)25-15-8-6-5-7-14(15)18/h5-8,13H,4,9-12H2,1-3H3,(H,20,23)(H2,19,21,22)
InChIKeyJXXWYRBRVJUQBT-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.91
Rot. Bonds10

About 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide

2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 111684646) has the molecular formula C17H27FN4O3 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
PubChem CID111684646
Molecular FormulaC17H27FN4O3
Molecular Weight354.43 g/mol
Exact Mass354.21
IUPAC Name2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCCOC)NCC(C)Oc1ccccc1F
InChIInChI=1S/C17H27FN4O3/c1-4-19-17(22-12-16(23)20-9-10-24-3)21-11-13(2)25-15-8-6-5-7-14(15)18/h5-8,13H,4,9-12H2,1-3H3,(H,20,23)(H2,19,21,22)
InChIKeyJXXWYRBRVJUQBT-UHFFFAOYSA-N
XLogP0.91
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111683132
2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-phenylacetamide
CID 111684486
N-cyclopropyl-2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111684649
2-[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111683360
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide
CID 111678856
N-ethyl-2-[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111686449
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111684844
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111678855
4-[[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111684690
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 111968011
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
N-[2-(dimethylamino)ethyl]-3-[[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]methyl]benzamide
CID 111684316

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide (CID 111684646) is 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is CCN/C(=N\CC(=O)NCCOC)NCC(C)Oc1ccccc1F.
What is the InChIKey of 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is JXXWYRBRVJUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O3/c1-4-19-17(22-12-16(23)20-9-10-24-3)21-11-13(2)25-15-8-6-5-7-14(15)18/h5-8,13H,4,9-12H2,1-3H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide?
2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 0.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 111684646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).