(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

C23H33N3O7 — CID 54660229

IUPAC(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N4CCOCC4)CC[C@@H]32)cc1
InChIInChI=1S/C23H33N3O7/c1-30-18-4-2-16(3-5-18)24-23(29)26-13-17(27)14-32-15-21-20(26)7-6-19(33-21)12-22(28)25-8-10-31-11-9-25/h2-5,17,19-21,27H,6-15H2,1H3,(H,24,29)/t17-,19+,20-,21+/m0/s1
InChIKeyVEYKCLURLPSKEE-FYZZASKESA-N
MW463.53 g/mol
LogP1.09
Rot. Bonds4

About (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (PubChem CID 54660229) has the molecular formula C23H33N3O7 and a molecular weight of 463.53 g/mol. Its IUPAC name is (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide.

Molecular Properties

Compound Name(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
PubChem CID54660229
Molecular FormulaC23H33N3O7
Molecular Weight463.53 g/mol
Exact Mass463.23
IUPAC Name(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N4CCOCC4)CC[C@@H]32)cc1
InChIInChI=1S/C23H33N3O7/c1-30-18-4-2-16(3-5-18)24-23(29)26-13-17(27)14-32-15-21-20(26)7-6-19(33-21)12-22(28)25-8-10-31-11-9-25/h2-5,17,19-21,27H,6-15H2,1H3,(H,24,29)/t17-,19+,20-,21+/m0/s1
InChIKeyVEYKCLURLPSKEE-FYZZASKESA-N
XLogP1.09
TPSA109.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide with MolForge

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Related Compounds

(3R,6aR,8R,10aR)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-oxo-2-piperidin-1-ylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658179
(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-oxo-2-piperidin-1-ylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658184
(3R,6aR,8R,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658664
(3R,6aS,8R,10aS)-N-(4-fluorophenyl)-3-hydroxy-8-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658666
(3S,6aS,8R,10aS)-N-(4-chlorophenyl)-3-hydroxy-8-(2-oxo-2-piperidin-1-ylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54659091
(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54660218
(3S,6aR,8S,10aR)-3-hydroxy-N-(4-methoxyphenyl)-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54660215
2-[(3S,6aR,8R,10aR)-1-benzoyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-morpholin-4-ylethanone
CID 54658433
(3S,6aS,8S,10aS)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54659014
(3S,6aS,8R,10aS)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54659008
(3R,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-(2-oxo-2-piperidin-1-ylethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54658569
(3S,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
CID 54657799

Frequently Asked Questions

What is the IUPAC name of (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide?
The IUPAC name of (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CID 54660229) is (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide.
What is the SMILES notation for (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide?
The canonical SMILES for (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide is COc1ccc(NC(=O)N2C[C@H](O)COC[C@H]3O[C@@H](CC(=O)N4CCOCC4)CC[C@@H]32)cc1.
What is the InChIKey of (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide?
The InChIKey is VEYKCLURLPSKEE-FYZZASKESA-N. The full InChI is InChI=1S/C23H33N3O7/c1-30-18-4-2-16(3-5-18)24-23(29)26-13-17(27)14-32-15-21-20(26)7-6-19(33-21)12-22(28)25-8-10-31-11-9-25/h2-5,17,19-21,27H,6-15H2,1H3,(H,24,29)/t17-,19+,20-,21+/m0/s1.
What are the key properties of (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide?
(3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6aS,8R,10aS)-3-hydroxy-N-(4-methoxyphenyl)-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide is sourced from PubChem (CID 54660229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).