N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide

C22H36N2O5 — CID 92984292

IUPACN-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1
InChIInChI=1S/C22H36N2O5/c1-22(2,3)29-17-19(25)14-23-10-13-28-20(15-23)16-24(11-12-27-4)21(26)18-8-6-5-7-9-18/h5-9,19-20,25H,10-17H2,1-4H3/t19-,20-/m0/s1
InChIKeyNPXIEYJEFOLUPP-PMACEKPBSA-N
MW408.54 g/mol
LogP1.65
Rot. Bonds10

About N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide

N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 92984292) has the molecular formula C22H36N2O5 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID92984292
Molecular FormulaC22H36N2O5
Molecular Weight408.54 g/mol
Exact Mass408.26
IUPAC NameN-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1
InChIInChI=1S/C22H36N2O5/c1-22(2,3)29-17-19(25)14-23-10-13-28-20(15-23)16-24(11-12-27-4)21(26)18-8-6-5-7-9-18/h5-9,19-20,25H,10-17H2,1-4H3/t19-,20-/m0/s1
InChIKeyNPXIEYJEFOLUPP-PMACEKPBSA-N
XLogP1.65
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide 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-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280
N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 98634512
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731560
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 92984292) is N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(C[C@@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1.
What is the InChIKey of N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is NPXIEYJEFOLUPP-PMACEKPBSA-N. The full InChI is InChI=1S/C22H36N2O5/c1-22(2,3)29-17-19(25)14-23-10-13-28-20(15-23)16-24(11-12-27-4)21(26)18-8-6-5-7-9-18/h5-9,19-20,25H,10-17H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 408.54 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 92984292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).