N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide

C25H24N2O5 — CID 41169797

IUPACN-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N2O5/c1-27(16-21-17-30-22-9-5-6-10-23(22)32-21)24(28)15-26-25(29)18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyRYTIMPUMCUAMMI-OAQYLSRUSA-N
MW432.48 g/mol
LogP3.51
Rot. Bonds7

About N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide

N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide (PubChem CID 41169797) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide
PubChem CID41169797
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC NameN-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide
SMILESCN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H24N2O5/c1-27(16-21-17-30-22-9-5-6-10-23(22)32-21)24(28)15-26-25(29)18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyRYTIMPUMCUAMMI-OAQYLSRUSA-N
XLogP3.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl]-4-fluorobenzamide
CID 51162552
N-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 42886251
4-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
CID 56545178
4-bromo-N-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxoethyl]benzamide
CID 112771731
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
4-(difluoromethoxy)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methylbenzamide
CID 31975786
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 51873142
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 42905010
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-3-phenoxypropanamide
CID 112791984
3-(4-acetylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylurea
CID 43064611
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 93239749
5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 125149975

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide (CID 41169797) is N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide is CN(C[C@@H]1COc2ccccc2O1)C(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide?
The InChIKey is RYTIMPUMCUAMMI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-27(16-21-17-30-22-9-5-6-10-23(22)32-21)24(28)15-26-25(29)18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,21H,15-17H2,1H3,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide?
N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-2-oxoethyl]-4-phenoxybenzamide is sourced from PubChem (CID 41169797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).