N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide

C22H29FN2O4 — CID 31884698

IUPACN-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O4/c1-16-5-4-6-21(17(16)2)24-22(27)14-25(11-12-28-3)13-19(26)15-29-20-9-7-18(23)8-10-20/h4-10,19,26H,11-15H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyMZRSXGVVKFVVFX-LJQANCHMSA-N
MW404.48 g/mol
LogP2.77
Rot. Bonds11

About N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide (PubChem CID 31884698) has the molecular formula C22H29FN2O4 and a molecular weight of 404.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide
PubChem CID31884698
Molecular FormulaC22H29FN2O4
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H](O)COc1ccc(F)cc1
InChIInChI=1S/C22H29FN2O4/c1-16-5-4-6-21(17(16)2)24-22(27)14-25(11-12-28-3)13-19(26)15-29-20-9-7-18(23)8-10-20/h4-10,19,26H,11-15H2,1-3H3,(H,24,27)/t19-/m1/s1
InChIKeyMZRSXGVVKFVVFX-LJQANCHMSA-N
XLogP2.77
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide 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-cyclohexyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]acetamide
CID 17412870
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetamide
CID 24574371
(2S)-1-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-phenoxypropan-2-ol
CID 93160726
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26903859
methyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]ethoxy]benzoate
CID 55831904
2-[[3-(4-cyanophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42926027
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-(2-methoxyethyl)amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24534478
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
3-bromo-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 17445264
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide (CID 31884698) is N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide is COCCN(CC(=O)Nc1cccc(C)c1C)C[C@@H](O)COc1ccc(F)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide?
The InChIKey is MZRSXGVVKFVVFX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H29FN2O4/c1-16-5-4-6-21(17(16)2)24-22(27)14-25(11-12-28-3)13-19(26)15-29-20-9-7-18(23)8-10-20/h4-10,19,26H,11-15H2,1-3H3,(H,24,27)/t19-/m1/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide has a molecular weight of 404.48 g/mol, XLogP of 2.77, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 31884698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).