ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide

C10H23NO4 — CID 176980933

IUPACethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide
SMILESCC.COCC(CO)(COC)NC(C)=O
InChIInChI=1S/C8H17NO4.C2H6/c1-7(11)9-8(4-10,5-12-2)6-13-3;1-2/h10H,4-6H2,1-3H3,(H,9,11);1-2H3
InChIKeyTVVGGXZHIKWHOO-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.17
Rot. Bonds6

About ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide

ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide (PubChem CID 176980933) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide
PubChem CID176980933
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Nameethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide
SMILESCC.COCC(CO)(COC)NC(C)=O
InChIInChI=1S/C8H17NO4.C2H6/c1-7(11)9-8(4-10,5-12-2)6-13-3;1-2/h10H,4-6H2,1-3H3,(H,9,11);1-2H3
InChIKeyTVVGGXZHIKWHOO-UHFFFAOYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide?
The IUPAC name of ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide (CID 176980933) is ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide?
The canonical SMILES for ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide is CC.COCC(CO)(COC)NC(C)=O.
What is the InChIKey of ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide?
The InChIKey is TVVGGXZHIKWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4.C2H6/c1-7(11)9-8(4-10,5-12-2)6-13-3;1-2/h10H,4-6H2,1-3H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide?
ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide has a molecular weight of 221.30 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-hydroxy-3-methoxy-2-(methoxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 176980933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).