2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

C15H27IN4O3 — CID 111366520

IUPAC2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C15H26N4O3.HI/c1-5-16-15(18-10-14(20)17-8-9-21-4)19-12(3)13-7-6-11(2)22-13;/h6-7,12H,5,8-10H2,1-4H3,(H,17,20)(H2,16,18,19);1H
InChIKeyLYQMGZHUEXYVTC-UHFFFAOYSA-N
MW438.31 g/mol
LogP1.58
Rot. Bonds8

About 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide

2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (PubChem CID 111366520) has the molecular formula C15H27IN4O3 and a molecular weight of 438.31 g/mol. Its IUPAC name is 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
PubChem CID111366520
Molecular FormulaC15H27IN4O3
Molecular Weight438.31 g/mol
Exact Mass438.11
IUPAC Name2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCCOC)NC(C)c1ccc(C)o1.I
InChIInChI=1S/C15H26N4O3.HI/c1-5-16-15(18-10-14(20)17-8-9-21-4)19-12(3)13-7-6-11(2)22-13;/h6-7,12H,5,8-10H2,1-4H3,(H,17,20)(H2,16,18,19);1H
InChIKeyLYQMGZHUEXYVTC-UHFFFAOYSA-N
XLogP1.58
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 51.58
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[[1-(2-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111319516
2-[[[1-(2,5-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111378364
2-[[ethylamino-(1-naphthalen-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111321843
N-tert-butyl-3-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]propanamide;hydroiodide
CID 75371796
2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111371692
2-[[ethylamino-(2-methylpropylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111180944
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[1-(5-methylfuran-2-yl)ethyl]guanidine
CID 111499651
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110966967
2-[[ethylamino-(3-methylbutylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 110979138
2-[[butylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111366459
2-[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111641538
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-(2-methoxyethyl)-3-[1-(5-methylfuran-2-yl)ethyl]guanidine;hydroiodide
CID 111491527

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide (CID 111366520) is 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCCOC)NC(C)c1ccc(C)o1.I.
What is the InChIKey of 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
The InChIKey is LYQMGZHUEXYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3.HI/c1-5-16-15(18-10-14(20)17-8-9-21-4)19-12(3)13-7-6-11(2)22-13;/h6-7,12H,5,8-10H2,1-4H3,(H,17,20)(H2,16,18,19);1H.
What are the key properties of 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide?
2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide has a molecular weight of 438.31 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[1-(5-methylfuran-2-yl)ethylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide is sourced from PubChem (CID 111366520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).