2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C24H33IN4O2 — CID 111907152

About 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111907152) has the molecular formula C24H33IN4O2 and a molecular weight of 536.46 g/mol. Its IUPAC name is 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

• Compound Name: 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
• PubChem CID: 111907152
• Molecular Formula: C24H33IN4O2
• Molecular Weight: 536.46 g/mol
• Exact Mass: 536.16
• IUPAC Name: 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
• SMILES: COc1ccccc1CCN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1.I
• InChI: InChI=1S/C24H32N4O2.HI/c1-28(2)23(29)17-26-24(25-15-14-19-9-6-7-11-22(19)30-3)27-21-13-12-18-8-4-5-10-20(18)16-21;/h4-11,21H,12-17H2,1-3H3,(H2,25,26,27);1H
• InChIKey: DIFPKXLKXMWWQY-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 65.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.46
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The IUPAC name of 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111907152) is 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

What is the SMILES notation for 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The canonical SMILES for 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COc1ccccc1CCN/C(=N\CC(=O)N(C)C)NC1CCc2ccccc2C1.I.

What is the InChIKey of 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

The InChIKey is DIFPKXLKXMWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2.HI/c1-28(2)23(29)17-26-24(25-15-14-19-9-6-7-11-22(19)30-3)27-21-13-12-18-8-4-5-10-20(18)16-21;/h4-11,21H,12-17H2,1-3H3,(H2,25,26,27);1H.

What are the key properties of 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?

2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 536.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[2-(2-methoxyphenyl)ethylamino]-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111907152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).