N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide

C17H25NO7 — CID 135638732

IUPACN-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide
SMILESCOC(CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)OC
InChIInChI=1S/C17H25NO7/c1-11-8-12(19)15(21)16(25-11)17(4-6-24-7-5-17)9-13(20)18-10-14(22-2)23-3/h8,14,21H,4-7,9-10H2,1-3H3,(H,18,20)
InChIKeyYNSFEVBQAFUWRP-UHFFFAOYSA-N
MW355.39 g/mol
LogP0.83
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide

N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide (PubChem CID 135638732) has the molecular formula C17H25NO7 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide
PubChem CID135638732
Molecular FormulaC17H25NO7
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC NameN-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide
SMILESCOC(CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)OC
InChIInChI=1S/C17H25NO7/c1-11-8-12(19)15(21)16(25-11)17(4-6-24-7-5-17)9-13(20)18-10-14(22-2)23-3/h8,14,21H,4-7,9-10H2,1-3H3,(H,18,20)
InChIKeyYNSFEVBQAFUWRP-UHFFFAOYSA-N
XLogP0.83
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide
CID 135640630
2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]-N-(2-naphthalen-2-ylethyl)acetamide
CID 135638858
(2R)-2-[[2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetamide
CID 135639975
2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)thian-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 139029932
2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)thian-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 139029805
N-[3-(furan-2-yl)-3-phenylpropyl]-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)thian-4-yl]acetamide
CID 139029803
2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 146048978
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)thian-4-yl]acetamide
CID 139029799
2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)thian-4-yl]-N-[2-phenyl-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 139029860
1-amino-N-(2,2-dimethoxyethyl)cyclobutane-1-carboxamide
CID 81173235
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 135640522
2,2-dimethoxyethylcarbamic acid
CID 18938836

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide (CID 135638732) is N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide is COC(CNC(=O)CC1(c2oc(C)cc(=O)c2O)CCOCC1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide?
The InChIKey is YNSFEVBQAFUWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO7/c1-11-8-12(19)15(21)16(25-11)17(4-6-24-7-5-17)9-13(20)18-10-14(22-2)23-3/h8,14,21H,4-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide?
N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide has a molecular weight of 355.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-[4-(3-hydroxy-6-methyl-4-oxopyran-2-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 135638732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).