2-methoxy-N-(3-methylbutyl)acetamide

C8H17NO2 — CID 14632091

IUPAC2-methoxy-N-(3-methylbutyl)acetamide
SMILESCOCC(=O)NCCC(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)4-5-9-8(10)6-11-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyWPGZTQQQQZTGEC-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.80
Rot. Bonds5

About 2-methoxy-N-(3-methylbutyl)acetamide

2-methoxy-N-(3-methylbutyl)acetamide (PubChem CID 14632091) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methoxy-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methylbutyl)acetamide
PubChem CID14632091
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methoxy-N-(3-methylbutyl)acetamide
SMILESCOCC(=O)NCCC(C)C
InChIInChI=1S/C8H17NO2/c1-7(2)4-5-9-8(10)6-11-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyWPGZTQQQQZTGEC-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-methoxy-N-(3-methylbutyl)acetamide (CID 14632091) is 2-methoxy-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-methoxy-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-methoxy-N-(3-methylbutyl)acetamide is COCC(=O)NCCC(C)C.
What is the InChIKey of 2-methoxy-N-(3-methylbutyl)acetamide?
The InChIKey is WPGZTQQQQZTGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)4-5-9-8(10)6-11-3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 2-methoxy-N-(3-methylbutyl)acetamide?
2-methoxy-N-(3-methylbutyl)acetamide has a molecular weight of 159.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 14632091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).