N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

C22H27NO6 — CID 124804211

IUPACN-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](OCc2ccc3ccccc3c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C22H27NO6/c1-13(24)23-18-19(25)20-17(12-27-22(2,3)29-20)28-21(18)26-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-21,25H,11-12H2,1-3H3,(H,23,24)/t17-,18+,19+,20+,21-/m1/s1
InChIKeyYNCSHLXKHJPHEP-NXNFSMPISA-N
MW401.46 g/mol
LogP2.10
Rot. Bonds4

About N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 124804211) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
PubChem CID124804211
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC NameN-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](OCc2ccc3ccccc3c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C22H27NO6/c1-13(24)23-18-19(25)20-17(12-27-22(2,3)29-20)28-21(18)26-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-21,25H,11-12H2,1-3H3,(H,23,24)/t17-,18+,19+,20+,21-/m1/s1
InChIKeyYNCSHLXKHJPHEP-NXNFSMPISA-N
XLogP2.10
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide with MolForge

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Related Compounds

N-[(4aS,6R,7R,8S,8aR)-8-hydroxy-2,2-dimethyl-6-[(4-nitrophenyl)methoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 99976128
N-[(4aR,6R,7S,8R,8aR)-8-hydroxy-2,2-dimethyl-6-[(4-nitrophenyl)methoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7076751
N-[(4aR,6S,7S,8R,8aS)-8-hydroxy-6-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 163118472
N-[8-hydroxy-6-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 163118464
N-[(4aS,6R,7S,8S,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 42560137
N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7164162
N-[(4aR,6S,7S,8S,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7164160
N-[(4aR,6R,7R,8R,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11887442
N-[(4aR,6S,7S,8R,8aS)-8-hydroxy-2,2-dimethyl-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124727889
N-[(4aS,6S,7R,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7164154
N-[(4aR,6R,7S,8R,8aR)-8-hydroxy-6-(3-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11893624
N-[(4aR,6S,7S,8S,8aR)-8-hydroxy-6-(3-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7283034

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The IUPAC name of N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 124804211) is N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.
What is the SMILES notation for N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The canonical SMILES for N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is CC(=O)N[C@@H]1[C@H](OCc2ccc3ccccc3c2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O.
What is the InChIKey of N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The InChIKey is YNCSHLXKHJPHEP-NXNFSMPISA-N. The full InChI is InChI=1S/C22H27NO6/c1-13(24)23-18-19(25)20-17(12-27-22(2,3)29-20)28-21(18)26-11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-21,25H,11-12H2,1-3H3,(H,23,24)/t17-,18+,19+,20+,21-/m1/s1.
What are the key properties of N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 401.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7S,8S,8aR)-8-hydroxy-2,2-dimethyl-6-(naphthalen-2-ylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 124804211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).