[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate

C26H41N3O6 — CID 42862384

IUPAC[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate
SMILESCCCC(=O)OCC(O)CN1CCOC(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)C1
InChIInChI=1S/C26H41N3O6/c1-2-6-26(32)35-21-23(30)18-28-13-16-34-24(19-28)20-29(10-9-27-11-14-33-15-12-27)25(31)17-22-7-4-3-5-8-22/h3-5,7-8,23-24,30H,2,6,9-21H2,1H3
InChIKeyKRAFWTLYIJNHOQ-UHFFFAOYSA-N
MW491.63 g/mol
LogP0.79
Rot. Bonds13

About [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate

[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate (PubChem CID 42862384) has the molecular formula C26H41N3O6 and a molecular weight of 491.63 g/mol. Its IUPAC name is [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate
PubChem CID42862384
Molecular FormulaC26H41N3O6
Molecular Weight491.63 g/mol
Exact Mass491.30
IUPAC Name[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate
SMILESCCCC(=O)OCC(O)CN1CCOC(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)C1
InChIInChI=1S/C26H41N3O6/c1-2-6-26(32)35-21-23(30)18-28-13-16-34-24(19-28)20-29(10-9-27-11-14-33-15-12-27)25(31)17-22-7-4-3-5-8-22/h3-5,7-8,23-24,30H,2,6,9-21H2,1H3
InChIKeyKRAFWTLYIJNHOQ-UHFFFAOYSA-N
XLogP0.79
TPSA91.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.63
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate with MolForge

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Related Compounds

N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 42862506
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-[[4-(2-hydroxy-3-prop-2-enoxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862348
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92989608
N-[[(2R)-4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 99732164
4-fluoro-N-[[(2S)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 92989592
4-fluoro-N-[[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862340
4-fluoro-N-[[4-(2-hydroxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862335
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 95330936
1-[2-(aminomethyl)morpholin-4-yl]-3-phenylmethoxypropan-2-ol
CID 114398972
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate?
The IUPAC name of [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate (CID 42862384) is [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate.
What is the SMILES notation for [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate?
The canonical SMILES for [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate is CCCC(=O)OCC(O)CN1CCOC(CN(CCN2CCOCC2)C(=O)Cc2ccccc2)C1.
What is the InChIKey of [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate?
The InChIKey is KRAFWTLYIJNHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O6/c1-2-6-26(32)35-21-23(30)18-28-13-16-34-24(19-28)20-29(10-9-27-11-14-33-15-12-27)25(31)17-22-7-4-3-5-8-22/h3-5,7-8,23-24,30H,2,6,9-21H2,1H3.
What are the key properties of [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate?
[2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate has a molecular weight of 491.63 g/mol, XLogP of 0.79, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-[[2-morpholin-4-ylethyl-(2-phenylacetyl)amino]methyl]morpholin-4-yl]propyl] butanoate is sourced from PubChem (CID 42862384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).