N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide

C10H21NO3 — CID 123909093

IUPACN-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide
SMILESCCOCC(CC)(COC)NC(C)=O
InChIInChI=1S/C10H21NO3/c1-5-10(7-13-4,8-14-6-2)11-9(3)12/h5-8H2,1-4H3,(H,11,12)
InChIKeyQNEQOCASMSZJFR-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds7

About N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide

N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide (PubChem CID 123909093) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide
PubChem CID123909093
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide
SMILESCCOCC(CC)(COC)NC(C)=O
InChIInChI=1S/C10H21NO3/c1-5-10(7-13-4,8-14-6-2)11-9(3)12/h5-8H2,1-4H3,(H,11,12)
InChIKeyQNEQOCASMSZJFR-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide?
The IUPAC name of N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide (CID 123909093) is N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide?
The canonical SMILES for N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide is CCOCC(CC)(COC)NC(C)=O.
What is the InChIKey of N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide?
The InChIKey is QNEQOCASMSZJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-5-10(7-13-4,8-14-6-2)11-9(3)12/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide?
N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide has a molecular weight of 203.28 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethoxy-2-(methoxymethyl)butan-2-yl]acetamide is sourced from PubChem (CID 123909093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).