(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide

C20H30N2O4 — CID 38025500

IUPAC(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CCOCC2)CC[C@@H]1O
InChIInChI=1S/C20H30N2O4/c1-21(15-16-5-3-2-4-6-16)20(24)19-18(23)8-7-17(26-19)9-10-22-11-13-25-14-12-22/h2-6,17-19,23H,7-15H2,1H3/t17-,18-,19-/m0/s1
InChIKeyQDPITRHWOBTJIA-FHWLQOOXSA-N
MW362.47 g/mol
LogP1.28
Rot. Bonds6

About (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide

(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide (PubChem CID 38025500) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
PubChem CID38025500
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CCOCC2)CC[C@@H]1O
InChIInChI=1S/C20H30N2O4/c1-21(15-16-5-3-2-4-6-16)20(24)19-18(23)8-7-17(26-19)9-10-22-11-13-25-14-12-22/h2-6,17-19,23H,7-15H2,1H3/t17-,18-,19-/m0/s1
InChIKeyQDPITRHWOBTJIA-FHWLQOOXSA-N
XLogP1.28
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide (CID 38025500) is (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@H]1O[C@H](CCN2CCOCC2)CC[C@@H]1O.
What is the InChIKey of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
The InChIKey is QDPITRHWOBTJIA-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-21(15-16-5-3-2-4-6-16)20(24)19-18(23)8-7-17(26-19)9-10-22-11-13-25-14-12-22/h2-6,17-19,23H,7-15H2,1H3/t17-,18-,19-/m0/s1.
What are the key properties of (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide is sourced from PubChem (CID 38025500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).