N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide

C24H28N4O3 — CID 155666124

IUPACN-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(CNCCNc2c3c(nc4ccccc24)CCCC3)cc1)NO
InChIInChI=1S/C24H28N4O3/c29-23(28-30)16-31-18-11-9-17(10-12-18)15-25-13-14-26-24-19-5-1-3-7-21(19)27-22-8-4-2-6-20(22)24/h1,3,5,7,9-12,25,30H,2,4,6,8,13-16H2,(H,26,27)(H,28,29)
InChIKeyBAEQRUGLKMSITK-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.20
Rot. Bonds9

About N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide

N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide (PubChem CID 155666124) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide
PubChem CID155666124
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide
SMILESO=C(COc1ccc(CNCCNc2c3c(nc4ccccc24)CCCC3)cc1)NO
InChIInChI=1S/C24H28N4O3/c29-23(28-30)16-31-18-11-9-17(10-12-18)15-25-13-14-26-24-19-5-1-3-7-21(19)27-22-8-4-2-6-20(22)24/h1,3,5,7,9-12,25,30H,2,4,6,8,13-16H2,(H,26,27)(H,28,29)
InChIKeyBAEQRUGLKMSITK-UHFFFAOYSA-N
XLogP3.20
TPSA95.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide (CID 155666124) is N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide is O=C(COc1ccc(CNCCNc2c3c(nc4ccccc24)CCCC3)cc1)NO.
What is the InChIKey of N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide?
The InChIKey is BAEQRUGLKMSITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23(28-30)16-31-18-11-9-17(10-12-18)15-25-13-14-26-24-19-5-1-3-7-21(19)27-22-8-4-2-6-20(22)24/h1,3,5,7,9-12,25,30H,2,4,6,8,13-16H2,(H,26,27)(H,28,29).
What are the key properties of N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide?
N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.20, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 155666124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).