2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide

C11H22N2O2 — CID 114467608

IUPAC2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
SMILESC=C(C)COCCNCC(=O)NCCC
InChIInChI=1S/C11H22N2O2/c1-4-5-13-11(14)8-12-6-7-15-9-10(2)3/h12H,2,4-9H2,1,3H3,(H,13,14)
InChIKeySYSILIJPCIHEBV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.69
Rot. Bonds9

About 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide

2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide (PubChem CID 114467608) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
PubChem CID114467608
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide
SMILESC=C(C)COCCNCC(=O)NCCC
InChIInChI=1S/C11H22N2O2/c1-4-5-13-11(14)8-12-6-7-15-9-10(2)3/h12H,2,4-9H2,1,3H3,(H,13,14)
InChIKeySYSILIJPCIHEBV-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-ethyl-2-(2-propoxyethylamino)acetamide
CID 106451657
N,N-dimethyl-2-[2-(2-methylprop-2-enoxy)ethylamino]acetamide
CID 114467467
N-[2-(2-methylprop-2-enoxy)ethyl]-2-sulfanylacetamide
CID 114469847
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(ethylamino)acetamide
CID 106236362
N-(2-methoxyethyl)-2-(2-propoxyethylamino)acetamide
CID 106452448
2-[2-(2-methylprop-2-enoxy)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114467731
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912
N-(3-butoxypropyl)-2-(propylamino)acetamide
CID 115574332
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide (CID 114467608) is 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide is C=C(C)COCCNCC(=O)NCCC.
What is the InChIKey of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide?
The InChIKey is SYSILIJPCIHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-13-11(14)8-12-6-7-15-9-10(2)3/h12H,2,4-9H2,1,3H3,(H,13,14).
What are the key properties of 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide?
2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylacetamide is sourced from PubChem (CID 114467608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).