2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide

C12H22N2O2 — CID 84573284

IUPAC2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)CCCC)C(C)=O
InChIInChI=1S/C12H22N2O2/c1-5-7-9-13(4)12(16)10-14(8-6-2)11(3)15/h6H,2,5,7-10H2,1,3-4H3
InChIKeyJARAWJGAPLEFNC-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.28
Rot. Bonds7

About 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide

2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide (PubChem CID 84573284) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide
PubChem CID84573284
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide
SMILESC=CCN(CC(=O)N(C)CCCC)C(C)=O
InChIInChI=1S/C12H22N2O2/c1-5-7-9-13(4)12(16)10-14(8-6-2)11(3)15/h6H,2,5,7-10H2,1,3-4H3
InChIKeyJARAWJGAPLEFNC-UHFFFAOYSA-N
XLogP1.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
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-butyl-N-methylacetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide (CID 84573284) is 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide is C=CCN(CC(=O)N(C)CCCC)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide?
The InChIKey is JARAWJGAPLEFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-7-9-13(4)12(16)10-14(8-6-2)11(3)15/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide?
2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide has a molecular weight of 226.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-butyl-N-methylacetamide is sourced from PubChem (CID 84573284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).