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

C18H25N2O8- — CID 163118464

IUPACN-[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
SMILESCC(=O)NC1C(OCc2ccc(N([O-])O)cc2)OC2COC(C)(C)OC2C1O
InChIInChI=1S/C18H25N2O8/c1-10(21)19-14-15(22)16-13(9-26-18(2,3)28-16)27-17(14)25-8-11-4-6-12(7-5-11)20(23)24/h4-7,13-17,22-23H,8-9H2,1-3H3,(H,19,21)/q-1
InChIKeyHWHAXVGNPRPIPV-UHFFFAOYSA-N
MW397.40 g/mol
LogP0.64
Rot. Bonds5

About 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

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 (PubChem CID 163118464) has the molecular formula C18H25N2O8- and a molecular weight of 397.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID163118464
Molecular FormulaC18H25N2O8-
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-[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
SMILESCC(=O)NC1C(OCc2ccc(N([O-])O)cc2)OC2COC(C)(C)OC2C1O
InChIInChI=1S/C18H25N2O8/c1-10(21)19-14-15(22)16-13(9-26-18(2,3)28-16)27-17(14)25-8-11-4-6-12(7-5-11)20(23)24/h4-7,13-17,22-23H,8-9H2,1-3H3,(H,19,21)/q-1
InChIKeyHWHAXVGNPRPIPV-UHFFFAOYSA-N
XLogP0.64
TPSA132.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-[(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,8aR)-8-hydroxy-6-[4-[hydroxy(oxido)amino]phenoxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 163165466
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
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,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-[(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-(8-hydroxy-2,2-dimethyl-6-octoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
CID 3457537
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)NC1C(OCc2ccc(N([O-])O)cc2)OC2COC(C)(C)OC2C1O.
What is the InChIKey of 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?
The InChIKey is HWHAXVGNPRPIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O8/c1-10(21)19-14-15(22)16-13(9-26-18(2,3)28-16)27-17(14)25-8-11-4-6-12(7-5-11)20(23)24/h4-7,13-17,22-23H,8-9H2,1-3H3,(H,19,21)/q-1.
What are the key properties of 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?
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 has a molecular weight of 397.40 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163118464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).