2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

C20H29IN4O3 — CID 111389362

IUPAC2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C20H28N4O3.HI/c1-4-21-20(24-14-19(25)23-13-17-6-5-11-27-17)22-10-9-16-12-15(2)7-8-18(16)26-3;/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,23,25)(H2,21,22,24);1H
InChIKeyDIJXFKBYNTUEIG-UHFFFAOYSA-N
MW500.38 g/mol
LogP2.63
Rot. Bonds9

About 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide

2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (PubChem CID 111389362) has the molecular formula C20H29IN4O3 and a molecular weight of 500.38 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
PubChem CID111389362
Molecular FormulaC20H29IN4O3
Molecular Weight500.38 g/mol
Exact Mass500.13
IUPAC Name2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)NCCc1cc(C)ccc1OC.I
InChIInChI=1S/C20H28N4O3.HI/c1-4-21-20(24-14-19(25)23-13-17-6-5-11-27-17)22-10-9-16-12-15(2)7-8-18(16)26-3;/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,23,25)(H2,21,22,24);1H
InChIKeyDIJXFKBYNTUEIG-UHFFFAOYSA-N
XLogP2.63
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[[2-(furan-2-yl)ethylamino]-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907516
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-propylacetamide
CID 111389462
1-[2-(2,5-dimethoxyphenyl)ethyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937359
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111388621
N-ethyl-4-[[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111389672
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111193485
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111942488
2-[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111193486
1-[2-(furan-2-yl)ethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111777259
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111179751
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111608284
N-[3-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]propyl]-3-methylfuran-2-carboxamide
CID 111776304

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide (CID 111389362) is 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)NCc1ccco1)NCCc1cc(C)ccc1OC.I.
What is the InChIKey of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
The InChIKey is DIJXFKBYNTUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3.HI/c1-4-21-20(24-14-19(25)23-13-17-6-5-11-27-17)22-10-9-16-12-15(2)7-8-18(16)26-3;/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,23,25)(H2,21,22,24);1H.
What are the key properties of 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide?
2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide has a molecular weight of 500.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(2-methoxy-5-methylphenyl)ethylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide is sourced from PubChem (CID 111389362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).