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

C20H30N2O5 — CID 38026336

IUPAC(2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCOCC3)CC[C@@H]2O)cc1
InChIInChI=1S/C20H30N2O5/c1-25-16-4-2-15(3-5-16)14-21-20(24)19-18(23)7-6-17(27-19)8-9-22-10-12-26-13-11-22/h2-5,17-19,23H,6-14H2,1H3,(H,21,24)/t17-,18-,19-/m0/s1
InChIKeyPLLPDAILPVSTLR-FHWLQOOXSA-N
MW378.47 g/mol
LogP0.94
Rot. Bonds7

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

(2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide (PubChem CID 38026336) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
PubChem CID38026336
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name(2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCOCC3)CC[C@@H]2O)cc1
InChIInChI=1S/C20H30N2O5/c1-25-16-4-2-15(3-5-16)14-21-20(24)19-18(23)7-6-17(27-19)8-9-22-10-12-26-13-11-22/h2-5,17-19,23H,6-14H2,1H3,(H,21,24)/t17-,18-,19-/m0/s1
InChIKeyPLLPDAILPVSTLR-FHWLQOOXSA-N
XLogP0.94
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide with MolForge

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Related Compounds

(2R,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-2-carboxamide
CID 162799014
(2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]oxane-2-carboxamide
CID 38026379
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
methyl 3-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]propanoate
CID 10882206
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111181781
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
1-(1,3-dioxolan-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 171907624
N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149986
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolidine-2-carboxamide
CID 110851630
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
2-(4-methoxyphenyl)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
CID 134110294
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide (CID 38026336) is (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide is COc1ccc(CNC(=O)[C@H]2O[C@H](CCN3CCOCC3)CC[C@@H]2O)cc1.
What is the InChIKey of (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
The InChIKey is PLLPDAILPVSTLR-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-25-16-4-2-15(3-5-16)14-21-20(24)19-18(23)7-6-17(27-19)8-9-22-10-12-26-13-11-22/h2-5,17-19,23H,6-14H2,1H3,(H,21,24)/t17-,18-,19-/m0/s1.
What are the key properties of (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide?
(2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide is sourced from PubChem (CID 38026336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).