2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide

C12H22N2O2 — CID 75483160

IUPAC2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-3-6-13-12(15)9-14-10(2)11-4-7-16-8-5-11/h3,10-11,14H,1,4-9H2,2H3,(H,13,15)
InChIKeyMHIWIDQUBSYORU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.69
Rot. Bonds6

About 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide

2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide (PubChem CID 75483160) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
PubChem CID75483160
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(C)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-3-6-13-12(15)9-14-10(2)11-4-7-16-8-5-11/h3,10-11,14H,1,4-9H2,2H3,(H,13,15)
InChIKeyMHIWIDQUBSYORU-UHFFFAOYSA-N
XLogP0.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 83194745
2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
CID 115923531
1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone
CID 84598799
2-[[(1R)-1-cyclohexylethyl]amino]-N-ethylacetamide
CID 81385685
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide (CID 75483160) is 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(C)C1CCOCC1.
What is the InChIKey of 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide?
The InChIKey is MHIWIDQUBSYORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-6-13-12(15)9-14-10(2)11-4-7-16-8-5-11/h3,10-11,14H,1,4-9H2,2H3,(H,13,15).
What are the key properties of 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide?
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 75483160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).