N-(methoxymethyl)-2-methylbutanamide

C7H15NO2 — CID 18724755

IUPACN-(methoxymethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCOC
InChIInChI=1S/C7H15NO2/c1-4-6(2)7(9)8-5-10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyMHCYGCHMAZBCTD-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.75
Rot. Bonds4

About N-(methoxymethyl)-2-methylbutanamide

N-(methoxymethyl)-2-methylbutanamide (PubChem CID 18724755) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methylbutanamide
PubChem CID18724755
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(methoxymethyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCOC
InChIInChI=1S/C7H15NO2/c1-4-6(2)7(9)8-5-10-3/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyMHCYGCHMAZBCTD-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methylbutanamide?
The IUPAC name of N-(methoxymethyl)-2-methylbutanamide (CID 18724755) is N-(methoxymethyl)-2-methylbutanamide.
What is the SMILES notation for N-(methoxymethyl)-2-methylbutanamide?
The canonical SMILES for N-(methoxymethyl)-2-methylbutanamide is CCC(C)C(=O)NCOC.
What is the InChIKey of N-(methoxymethyl)-2-methylbutanamide?
The InChIKey is MHCYGCHMAZBCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-6(2)7(9)8-5-10-3/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(methoxymethyl)-2-methylbutanamide?
N-(methoxymethyl)-2-methylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methylbutanamide is sourced from PubChem (CID 18724755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).