2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide

C28H30N2O4 — CID 54263295

IUPAC2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide
SMILESCON=C(C(=O)NCC(C)O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1
InChIInChI=1S/C28H30N2O4/c1-19(31)17-29-28(32)27(30-33-2)26-10-6-4-8-22(26)18-34-23-14-11-21(12-15-23)25-16-13-20-7-3-5-9-24(20)25/h3-12,14-15,19,25,31H,13,16-18H2,1-2H3,(H,29,32)
InChIKeyREZURQNHSXSROR-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.19
Rot. Bonds9

About 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide

2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide (PubChem CID 54263295) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide.

Molecular Properties

Compound Name2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide
PubChem CID54263295
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide
SMILESCON=C(C(=O)NCC(C)O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1
InChIInChI=1S/C28H30N2O4/c1-19(31)17-29-28(32)27(30-33-2)26-10-6-4-8-22(26)18-34-23-14-11-21(12-15-23)25-16-13-20-7-3-5-9-24(20)25/h3-12,14-15,19,25,31H,13,16-18H2,1-2H3,(H,29,32)
InChIKeyREZURQNHSXSROR-UHFFFAOYSA-N
XLogP4.19
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide 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 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide?
The IUPAC name of 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide (CID 54263295) is 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide.
What is the SMILES notation for 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide?
The canonical SMILES for 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide is CON=C(C(=O)NCC(C)O)c1ccccc1COc1ccc(C2CCc3ccccc32)cc1.
What is the InChIKey of 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide?
The InChIKey is REZURQNHSXSROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-19(31)17-29-28(32)27(30-33-2)26-10-6-4-8-22(26)18-34-23-14-11-21(12-15-23)25-16-13-20-7-3-5-9-24(20)25/h3-12,14-15,19,25,31H,13,16-18H2,1-2H3,(H,29,32).
What are the key properties of 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide?
2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide has a molecular weight of 458.56 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(2,3-dihydro-1H-inden-1-yl)phenoxy]methyl]phenyl]-N-(2-hydroxypropyl)-2-methoxyiminoacetamide is sourced from PubChem (CID 54263295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).