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

C25H34N2O6 — CID 99731560

IUPACN-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(C[C@@H](O)COc2ccc(OC)cc2)CCO1)C(=O)c1ccccc1
InChIInChI=1S/C25H34N2O6/c1-30-14-13-27(25(29)20-6-4-3-5-7-20)18-24-17-26(12-15-32-24)16-21(28)19-33-23-10-8-22(31-2)9-11-23/h3-11,21,24,28H,12-19H2,1-2H3/t21-,24+/m1/s1
InChIKeyPWJMBXGUINLTLI-QPPBQGQZSA-N
MW458.56 g/mol
LogP1.92
Rot. Bonds12

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

N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 99731560) has the molecular formula C25H34N2O6 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID99731560
Molecular FormulaC25H34N2O6
Molecular Weight458.56 g/mol
Exact Mass458.24
IUPAC NameN-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(C[C@@H](O)COc2ccc(OC)cc2)CCO1)C(=O)c1ccccc1
InChIInChI=1S/C25H34N2O6/c1-30-14-13-27(25(29)20-6-4-3-5-7-20)18-24-17-26(12-15-32-24)16-21(28)19-33-23-10-8-22(31-2)9-11-23/h3-11,21,24,28H,12-19H2,1-2H3/t21-,24+/m1/s1
InChIKeyPWJMBXGUINLTLI-QPPBQGQZSA-N
XLogP1.92
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862186
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
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-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984292
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711
N-[[4-(2-hydroxy-3-piperidin-1-ylpropyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060169
N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99732768
N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060170

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 99731560) is N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(C[C@@H]1CN(C[C@@H](O)COc2ccc(OC)cc2)CCO1)C(=O)c1ccccc1.
What is the InChIKey of N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is PWJMBXGUINLTLI-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H34N2O6/c1-30-14-13-27(25(29)20-6-4-3-5-7-20)18-24-17-26(12-15-32-24)16-21(28)19-33-23-10-8-22(31-2)9-11-23/h3-11,21,24,28H,12-19H2,1-2H3/t21-,24+/m1/s1.
What are the key properties of N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 1.92, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 99731560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).