ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane

C23H50N2O10 — CID 157191090

IUPACethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane
SMILESCC.CC(=O)NC1COC(CO)CC1O.CC(=O)NC1COC(CO)CC1O.CCOC.COC
InChIInChI=1S/2C8H15NO4.C3H8O.C2H6O.C2H6/c2*1-5(11)9-7-4-13-6(3-10)2-8(7)12;1-3-4-2;1-3-2;1-2/h2*6-8,10,12H,2-4H2,1H3,(H,9,11);3H2,1-2H3;1-2H3;1-2H3
InChIKeyAPRZFSKHRHZWPZ-UHFFFAOYSA-N
MW514.66 g/mol
LogP-0.79
Rot. Bonds5

About ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane

ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane (PubChem CID 157191090) has the molecular formula C23H50N2O10 and a molecular weight of 514.66 g/mol. Its IUPAC name is ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane.

Molecular Properties

Compound Nameethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane
PubChem CID157191090
Molecular FormulaC23H50N2O10
Molecular Weight514.66 g/mol
Exact Mass514.35
IUPAC Nameethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane
SMILESCC.CC(=O)NC1COC(CO)CC1O.CC(=O)NC1COC(CO)CC1O.CCOC.COC
InChIInChI=1S/2C8H15NO4.C3H8O.C2H6O.C2H6/c2*1-5(11)9-7-4-13-6(3-10)2-8(7)12;1-3-4-2;1-3-2;1-2/h2*6-8,10,12H,2-4H2,1H3,(H,9,11);3H2,1-2H3;1-2H3;1-2H3
InChIKeyAPRZFSKHRHZWPZ-UHFFFAOYSA-N
XLogP-0.79
TPSA176.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.66
LogP ≤ 5-0.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane?
The IUPAC name of ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane (CID 157191090) is ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane.
What is the SMILES notation for ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane?
The canonical SMILES for ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane is CC.CC(=O)NC1COC(CO)CC1O.CC(=O)NC1COC(CO)CC1O.CCOC.COC.
What is the InChIKey of ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane?
The InChIKey is APRZFSKHRHZWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO4.C3H8O.C2H6O.C2H6/c2*1-5(11)9-7-4-13-6(3-10)2-8(7)12;1-3-4-2;1-3-2;1-2/h2*6-8,10,12H,2-4H2,1H3,(H,9,11);3H2,1-2H3;1-2H3;1-2H3.
What are the key properties of ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane?
ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane has a molecular weight of 514.66 g/mol, XLogP of -0.79, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(N-[4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide);methoxyethane;methoxymethane is sourced from PubChem (CID 157191090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).