N-(2-methylpropoxymethyl)acetamide

C7H15NO2 — CID 55287446

IUPACN-(2-methylpropoxymethyl)acetamide
SMILESCC(=O)NCOCC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-10-5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyJCIGYSRUTIVDLT-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.75
Rot. Bonds4

About N-(2-methylpropoxymethyl)acetamide

N-(2-methylpropoxymethyl)acetamide (PubChem CID 55287446) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(2-methylpropoxymethyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropoxymethyl)acetamide
PubChem CID55287446
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(2-methylpropoxymethyl)acetamide
SMILESCC(=O)NCOCC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-10-5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyJCIGYSRUTIVDLT-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2-methylpropoxymethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxymethyl)acetamide?
The IUPAC name of N-(2-methylpropoxymethyl)acetamide (CID 55287446) is N-(2-methylpropoxymethyl)acetamide.
What is the SMILES notation for N-(2-methylpropoxymethyl)acetamide?
The canonical SMILES for N-(2-methylpropoxymethyl)acetamide is CC(=O)NCOCC(C)C.
What is the InChIKey of N-(2-methylpropoxymethyl)acetamide?
The InChIKey is JCIGYSRUTIVDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)4-10-5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methylpropoxymethyl)acetamide?
N-(2-methylpropoxymethyl)acetamide 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-(2-methylpropoxymethyl)acetamide is sourced from PubChem (CID 55287446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).