N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide

C21H31NO6 — CID 20612077

IUPACN-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide
SMILESCOC1(C)OC2(C)COC(c3ccccc3)OC2(C)C(C)(O)C1(C)NC(C)=O
InChIInChI=1S/C21H31NO6/c1-14(23)22-18(3)19(4,24)20(5)17(2,28-21(18,6)25-7)13-26-16(27-20)15-11-9-8-10-12-15/h8-12,16,24H,13H2,1-7H3,(H,22,23)
InChIKeySMKWCNNJUQCIBN-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.29
Rot. Bonds3

About N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide

N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide (PubChem CID 20612077) has the molecular formula C21H31NO6 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide.

Molecular Properties

Compound NameN-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide
PubChem CID20612077
Molecular FormulaC21H31NO6
Molecular Weight393.48 g/mol
Exact Mass393.22
IUPAC NameN-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide
SMILESCOC1(C)OC2(C)COC(c3ccccc3)OC2(C)C(C)(O)C1(C)NC(C)=O
InChIInChI=1S/C21H31NO6/c1-14(23)22-18(3)19(4,24)20(5)17(2,28-21(18,6)25-7)13-26-16(27-20)15-11-9-8-10-12-15/h8-12,16,24H,13H2,1-7H3,(H,22,23)
InChIKeySMKWCNNJUQCIBN-UHFFFAOYSA-N
XLogP2.29
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate
CID 142132815
N-(4-methoxyphenyl)-5-methyl-2-phenyl-1,3-dioxane-5-carboxamide
CID 100778993
N-[(1S,2R,6S,7S,9S,12R)-9-hydroxy-4,4-dimethyl-12-phenyl-3,5,11,13-tetraoxatricyclo[7.4.0.02,6]tridecan-7-yl]acetamide
CID 11199281
[(4aR,6S,7S,8R,8aR)-8-acetamido-8-hydroxy-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl] methanesulfonate
CID 122699285
N-[(2R,4aR,6S,7S,8R,8aS)-6,8-dihydroxy-6-methyl-2-phenyl-4a,7,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 928850
(5-methyl-2-phenyl-1,3-dioxan-5-yl)methyl 2-methylprop-2-enoate
CID 88985259
5-(dimethoxymethyl)-5-methyl-2-phenyl-1,3-dioxane
CID 11207486
(1'R,4S,5'S)-6',6'-dimethyl-2-phenylspiro[1,3-dioxolane-4,2'-bicyclo[3.1.1]heptane]
CID 11322877
methyl (2R,3S,5R,6R)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
CID 102271985
5,5-bis(methoxymethyl)-2-phenyl-1,3-dioxane
CID 12721367
dibenzyl 2,3-bis[(5-methyl-2-phenyl-1,3-dioxane-5-carbonyl)oxy]butanedioate
CID 123154581
N-[(1R,2S,6S,7S,8S)-4-methyl-3,5-dioxo-8-phenyl-9-oxa-4-azatricyclo[5.4.0.02,6]undecan-1-yl]acetamide
CID 146162424

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide?
The IUPAC name of N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide (CID 20612077) is N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide.
What is the SMILES notation for N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide?
The canonical SMILES for N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide is COC1(C)OC2(C)COC(c3ccccc3)OC2(C)C(C)(O)C1(C)NC(C)=O.
What is the InChIKey of N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide?
The InChIKey is SMKWCNNJUQCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO6/c1-14(23)22-18(3)19(4,24)20(5)17(2,28-21(18,6)25-7)13-26-16(27-20)15-11-9-8-10-12-15/h8-12,16,24H,13H2,1-7H3,(H,22,23).
What are the key properties of N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide?
N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide has a molecular weight of 393.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-6-methoxy-4a,6,7,8,8a-pentamethyl-2-phenyl-4H-pyrano[3,2-d][1,3]dioxin-7-yl)acetamide is sourced from PubChem (CID 20612077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).