2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide

C12H23NO2 — CID 112604633

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-13(10(2)3)11(14)9-15-12(4,5)6/h7,10H,1,8-9H2,2-6H3
InChIKeyFMSOMJLXGKTYGK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide

2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide (PubChem CID 112604633) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide
PubChem CID112604633
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COC(C)(C)C)C(C)C
InChIInChI=1S/C12H23NO2/c1-7-8-13(10(2)3)11(14)9-15-12(4,5)6/h7,10H,1,8-9H2,2-6H3
InChIKeyFMSOMJLXGKTYGK-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide 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 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide (CID 112604633) is 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide is C=CCN(C(=O)COC(C)(C)C)C(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide?
The InChIKey is FMSOMJLXGKTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-8-13(10(2)3)11(14)9-15-12(4,5)6/h7,10H,1,8-9H2,2-6H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide?
2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide has a molecular weight of 213.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-propan-2-yl-N-prop-2-enylacetamide is sourced from PubChem (CID 112604633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).