N-(2-methoxyethyl)-2-methylbutanamide

C8H17NO2 — CID 4628923

IUPACN-(2-methoxyethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCOC
InChIInChI=1S/C8H17NO2/c1-4-7(2)8(10)9-5-6-11-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyQHUGSAOWTLJLAT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.80
Rot. Bonds5

About N-(2-methoxyethyl)-2-methylbutanamide

N-(2-methoxyethyl)-2-methylbutanamide (PubChem CID 4628923) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methylbutanamide
PubChem CID4628923
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(2-methoxyethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCOC
InChIInChI=1S/C8H17NO2/c1-4-7(2)8(10)9-5-6-11-3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyQHUGSAOWTLJLAT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-2-methylbutanamide (CID 4628923) is N-(2-methoxyethyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methylbutanamide is CCC(C)C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-methylbutanamide?
The InChIKey is QHUGSAOWTLJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-7(2)8(10)9-5-6-11-3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-methoxyethyl)-2-methylbutanamide?
N-(2-methoxyethyl)-2-methylbutanamide 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 N-(2-methoxyethyl)-2-methylbutanamide is sourced from PubChem (CID 4628923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).