N-(methoxymethyl)-N-propan-2-ylacetamide

C7H15NO2 — CID 59092894

IUPACN-(methoxymethyl)-N-propan-2-ylacetamide
SMILESCOCN(C(C)=O)C(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)8(5-10-4)7(3)9/h6H,5H2,1-4H3
InChIKeyIPTNECQDJOAVQO-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds3

About N-(methoxymethyl)-N-propan-2-ylacetamide

N-(methoxymethyl)-N-propan-2-ylacetamide (PubChem CID 59092894) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(methoxymethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(methoxymethyl)-N-propan-2-ylacetamide
PubChem CID59092894
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(methoxymethyl)-N-propan-2-ylacetamide
SMILESCOCN(C(C)=O)C(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)8(5-10-4)7(3)9/h6H,5H2,1-4H3
InChIKeyIPTNECQDJOAVQO-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
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)-N-propan-2-ylacetamide?
The IUPAC name of N-(methoxymethyl)-N-propan-2-ylacetamide (CID 59092894) is N-(methoxymethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(methoxymethyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(methoxymethyl)-N-propan-2-ylacetamide is COCN(C(C)=O)C(C)C.
What is the InChIKey of N-(methoxymethyl)-N-propan-2-ylacetamide?
The InChIKey is IPTNECQDJOAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)8(5-10-4)7(3)9/h6H,5H2,1-4H3.
What are the key properties of N-(methoxymethyl)-N-propan-2-ylacetamide?
N-(methoxymethyl)-N-propan-2-ylacetamide has a molecular weight of 145.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 59092894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).