2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C18H33IN4O2 — CID 111127674

IUPAC2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCCCC(CC)CN/C(=N/CC(=O)NCc1ccco1)NCC.I
InChIInChI=1S/C18H32N4O2.HI/c1-4-7-9-15(5-2)12-21-18(19-6-3)22-14-17(23)20-13-16-10-8-11-24-16;/h8,10-11,15H,4-7,9,12-14H2,1-3H3,(H,20,23)(H2,19,21,22);1H
InChIKeyKYZLJVUMYCWXRK-UHFFFAOYSA-N
MW464.39 g/mol
LogP3.29
Rot. Bonds11

About 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111127674) has the molecular formula C18H33IN4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111127674
Molecular FormulaC18H33IN4O2
Molecular Weight464.39 g/mol
Exact Mass464.16
IUPAC Name2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCCCC(CC)CN/C(=N/CC(=O)NCc1ccco1)NCC.I
InChIInChI=1S/C18H32N4O2.HI/c1-4-7-9-15(5-2)12-21-18(19-6-3)22-14-17(23)20-13-16-10-8-11-24-16;/h8,10-11,15H,4-7,9,12-14H2,1-3H3,(H,20,23)(H2,19,21,22);1H
InChIKeyKYZLJVUMYCWXRK-UHFFFAOYSA-N
XLogP3.29
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111942488
2-[[(2-ethylhexylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354972
1-(2-ethylhexyl)-3-(furan-2-ylmethyl)thiourea
CID 19651782
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111011215
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110937849
2-[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111674749
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 110937867
tert-butyl N-[3-[[N-ethyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamimidoyl]amino]propyl]carbamate
CID 111886201
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111193485
2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111322837
5-[[[ethylamino-(2-ethylhexylamino)methylidene]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908128
2-[[ethylamino-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111284411

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111127674) is 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CCCCC(CC)CN/C(=N/CC(=O)NCc1ccco1)NCC.I.
What is the InChIKey of 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is KYZLJVUMYCWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.HI/c1-4-7-9-15(5-2)12-21-18(19-6-3)22-14-17(23)20-13-16-10-8-11-24-16;/h8,10-11,15H,4-7,9,12-14H2,1-3H3,(H,20,23)(H2,19,21,22);1H.
What are the key properties of 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 464.39 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(2-ethylhexylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111127674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).