N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide

C25H38N2O5 — CID 110153476

IUPACN-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O
InChIInChI=1S/C25H38N2O5/c1-24-16-20(19-6-4-3-5-7-19)17-25(32-24,10-13-28)9-8-21(23(24)30)26(2)22(29)18-27-11-14-31-15-12-27/h3-7,20-21,23,28,30H,8-18H2,1-2H3/t20-,21+,23-,24+,25-/m1/s1
InChIKeyMJQLOXXCHMNRSZ-JAOKQIQISA-N
MW446.59 g/mol
LogP1.77
Rot. Bonds6

About N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide

N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide (PubChem CID 110153476) has the molecular formula C25H38N2O5 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide
PubChem CID110153476
Molecular FormulaC25H38N2O5
Molecular Weight446.59 g/mol
Exact Mass446.28
IUPAC NameN-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide
SMILESCN(C(=O)CN1CCOCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O
InChIInChI=1S/C25H38N2O5/c1-24-16-20(19-6-4-3-5-7-19)17-25(32-24,10-13-28)9-8-21(23(24)30)26(2)22(29)18-27-11-14-31-15-12-27/h3-7,20-21,23,28,30H,8-18H2,1-2H3/t20-,21+,23-,24+,25-/m1/s1
InChIKeyMJQLOXXCHMNRSZ-JAOKQIQISA-N
XLogP1.77
TPSA82.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

2-ethoxy-N-[(1S,2S,3R,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methylacetamide
CID 110153267
N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]cyclohexanecarboxamide
CID 110153384
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
N-methyl-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-N-phenylacetamide
CID 60503563
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
N-[[(1S,2S,3S,6S,8S)-2-hydroxy-1,6-dimethyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]methyl]-2-methylpropanamide
CID 110153374
(4R)-1-(2-morpholin-4-ylacetyl)-4-phenylpyrrolidin-2-one
CID 30449204
1-(2-morpholin-4-ylacetyl)-4-phenylpyrrolidin-2-one
CID 5143048
N-[(1S,2S,3R,6S,8S)-2-hydroxy-6-(hydroxymethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-4-methoxybenzenesulfonamide
CID 110153411
(2S,3R,8S)-1,6-dimethyl-3-(methylamino)-8-phenyl-10-oxabicyclo[4.3.1]decan-2-ol
CID 110157710
N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide
CID 155988476
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide (CID 110153476) is N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide is CN(C(=O)CN1CCOCC1)[C@H]1CC[C@@]2(CCO)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O.
What is the InChIKey of N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
The InChIKey is MJQLOXXCHMNRSZ-JAOKQIQISA-N. The full InChI is InChI=1S/C25H38N2O5/c1-24-16-20(19-6-4-3-5-7-19)17-25(32-24,10-13-28)9-8-21(23(24)30)26(2)22(29)18-27-11-14-31-15-12-27/h3-7,20-21,23,28,30H,8-18H2,1-2H3/t20-,21+,23-,24+,25-/m1/s1.
What are the key properties of N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide?
N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide has a molecular weight of 446.59 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S,6S,8S)-2-hydroxy-6-(2-hydroxyethyl)-1-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-3-yl]-N-methyl-2-morpholin-4-ylacetamide is sourced from PubChem (CID 110153476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).