2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide

C11H20N2O2 — CID 84571207

IUPAC2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
SMILESC=CCN(CC(=O)NCC(C)C)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-6-13(10(4)14)8-11(15)12-7-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyZIQIELOOBPGYGQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.79
Rot. Bonds6

About 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide

2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 84571207) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID84571207
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
SMILESC=CCN(CC(=O)NCC(C)C)C(C)=O
InChIInChI=1S/C11H20N2O2/c1-5-6-13(10(4)14)8-11(15)12-7-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15)
InChIKeyZIQIELOOBPGYGQ-UHFFFAOYSA-N
XLogP0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide (CID 84571207) is 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide is C=CCN(CC(=O)NCC(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is ZIQIELOOBPGYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-13(10(4)14)8-11(15)12-7-9(2)3/h5,9H,1,6-8H2,2-4H3,(H,12,15).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide?
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 84571207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).