2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride

About 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride

2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride (PubChem CID 67766561) has the molecular formula C30H37ClN4O5 and a molecular weight of 569.10 g/mol. Its IUPAC name is 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride.

Molecular Properties

Compound Name	2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride
PubChem CID	67766561
Molecular Formula	C30H37ClN4O5
Molecular Weight	569.10 g/mol
Exact Mass	568.25
IUPAC Name	2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride
SMILES	Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccc(NC(N)=NC(Oc3ccccc3)C(N)=O)cc1)O2.Cl
InChI	InChI=1S/C30H36N4O5.ClH/c1-18-19(2)26-24(20(3)25(18)35)14-15-30(4,39-26)16-17-37-22-12-10-21(11-13-22)33-29(32)34-28(27(31)36)38-23-8-6-5-7-9-23;/h5-13,28,35H,14-17H2,1-4H3,(H2,31,36)(H3,32,33,34);1H
InChIKey	AUXIEAMAOLROET-UHFFFAOYSA-N
XLogP	4.91
TPSA	141.42 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.10
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride?

The IUPAC name of 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride (CID 67766561) is 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride.

What is the SMILES notation for 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride?

The canonical SMILES for 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOc1ccc(NC(N)=NC(Oc3ccccc3)C(N)=O)cc1)O2.Cl.

What is the InChIKey of 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride?

The InChIKey is AUXIEAMAOLROET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5.ClH/c1-18-19(2)26-24(20(3)25(18)35)14-15-30(4,39-26)16-17-37-22-12-10-21(11-13-22)33-29(32)34-28(27(31)36)38-23-8-6-5-7-9-23;/h5-13,28,35H,14-17H2,1-4H3,(H2,31,36)(H3,32,33,34);1H.

What are the key properties of 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride?

2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride has a molecular weight of 569.10 g/mol, XLogP of 4.91, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[amino-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]anilino]methylidene]amino]-2-phenoxyacetamide;hydrochloride is sourced from PubChem (CID 67766561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).