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

C18H25NO6 — CID 124772187

IUPACN-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O
InChIInChI=1S/C18H25NO6/c1-10-7-5-6-8-12(10)23-17-14(19-11(2)20)15(21)16-13(24-17)9-22-18(3,4)25-16/h5-8,13-17,21H,9H2,1-4H3,(H,19,20)/t13-,14+,15+,16-,17-/m1/s1
InChIKeyKCCLQUODNNILEX-DRRXZNNHSA-N
MW351.40 g/mol
LogP1.12
Rot. Bonds3

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

N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 124772187) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

Compound NameN-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
PubChem CID124772187
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC NameN-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)N[C@@H]1[C@H](Oc2ccccc2C)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O
InChIInChI=1S/C18H25NO6/c1-10-7-5-6-8-12(10)23-17-14(19-11(2)20)15(21)16-13(24-17)9-22-18(3,4)25-16/h5-8,13-17,21H,9H2,1-4H3,(H,19,20)/t13-,14+,15+,16-,17-/m1/s1
InChIKeyKCCLQUODNNILEX-DRRXZNNHSA-N
XLogP1.12
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4aS,6R,7R,8S,8aR)-6-(2,5-dimethylphenoxy)-8-hydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7286069
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,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-[(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
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-(4-methoxyphenoxy)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7164160
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,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,6R,7S,8S,8aR)-8-hydroxy-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7336741
N-[(4aR,6S,7S,8R,8aR)-8-hydroxy-2,2-dimethyl-6-(4-nitrophenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7392778
N-[(4aR,6R,7S,8R,8aR)-8-hydroxy-2,2-dimethyl-6-(4-nitrophenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11901342

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The IUPAC name of N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 124772187) is N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.
What is the SMILES notation for N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The canonical SMILES for N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-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](Oc2ccccc2C)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O.
What is the InChIKey of N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The InChIKey is KCCLQUODNNILEX-DRRXZNNHSA-N. The full InChI is InChI=1S/C18H25NO6/c1-10-7-5-6-8-12(10)23-17-14(19-11(2)20)15(21)16-13(24-17)9-22-18(3,4)25-16/h5-8,13-17,21H,9H2,1-4H3,(H,19,20)/t13-,14+,15+,16-,17-/m1/s1.
What are the key properties of N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6S,7S,8S,8aS)-8-hydroxy-2,2-dimethyl-6-(2-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 124772187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).