N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide

C12H22N2O2 — CID 66432985

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide
SMILESC=C(C)CN(CC)C(=O)CC1CNCCO1
InChIInChI=1S/C12H22N2O2/c1-4-14(9-10(2)3)12(15)7-11-8-13-5-6-16-11/h11,13H,2,4-9H2,1,3H3
InChIKeyXSPUNGCHKGCYOW-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide (PubChem CID 66432985) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide
PubChem CID66432985
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide
SMILESC=C(C)CN(CC)C(=O)CC1CNCCO1
InChIInChI=1S/C12H22N2O2/c1-4-14(9-10(2)3)12(15)7-11-8-13-5-6-16-11/h11,13H,2,4-9H2,1,3H3
InChIKeyXSPUNGCHKGCYOW-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide (CID 66432985) is N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide is C=C(C)CN(CC)C(=O)CC1CNCCO1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide?
The InChIKey is XSPUNGCHKGCYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-14(9-10(2)3)12(15)7-11-8-13-5-6-16-11/h11,13H,2,4-9H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66432985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).