N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide

C12H23NO3 — CID 103340502

IUPACN-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)COC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-7-13(8-9-15-5)11(14)10-16-12(2,3)4/h6H,1,7-10H2,2-5H3
InChIKeyUBONEFJJFSKZAY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.46
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide

N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide (PubChem CID 103340502) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
PubChem CID103340502
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)COC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-7-13(8-9-15-5)11(14)10-16-12(2,3)4/h6H,1,7-10H2,2-5H3
InChIKeyUBONEFJJFSKZAY-UHFFFAOYSA-N
XLogP1.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
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-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide (CID 103340502) is N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide is C=CCN(CCOC)C(=O)COC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide?
The InChIKey is UBONEFJJFSKZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-7-13(8-9-15-5)11(14)10-16-12(2,3)4/h6H,1,7-10H2,2-5H3.
What are the key properties of N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide?
N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide has a molecular weight of 229.32 g/mol, XLogP of 1.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2-methylpropan-2-yl)oxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 103340502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).