N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide

C12H23NO6 — CID 20683845

IUPACN-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)CC(C)(C)OC1C(O)C(O)CO
InChIInChI=1S/C12H23NO6/c1-6(15)13-9-7(16)4-12(2,3)19-11(9)10(18)8(17)5-14/h7-11,14,16-18H,4-5H2,1-3H3,(H,13,15)
InChIKeyGSFWVTMXRJKFTI-UHFFFAOYSA-N
MW277.32 g/mol
LogP-1.87
Rot. Bonds4

About N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide

N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide (PubChem CID 20683845) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide
PubChem CID20683845
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC NameN-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(O)CC(C)(C)OC1C(O)C(O)CO
InChIInChI=1S/C12H23NO6/c1-6(15)13-9-7(16)4-12(2,3)19-11(9)10(18)8(17)5-14/h7-11,14,16-18H,4-5H2,1-3H3,(H,13,15)
InChIKeyGSFWVTMXRJKFTI-UHFFFAOYSA-N
XLogP-1.87
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-1.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide?
The IUPAC name of N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide (CID 20683845) is N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide is CC(=O)NC1C(O)CC(C)(C)OC1C(O)C(O)CO.
What is the InChIKey of N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide?
The InChIKey is GSFWVTMXRJKFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6/c1-6(15)13-9-7(16)4-12(2,3)19-11(9)10(18)8(17)5-14/h7-11,14,16-18H,4-5H2,1-3H3,(H,13,15).
What are the key properties of N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide?
N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide has a molecular weight of 277.32 g/mol, XLogP of -1.87, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-6,6-dimethyl-2-(1,2,3-trihydroxypropyl)oxan-3-yl]acetamide is sourced from PubChem (CID 20683845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).