N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide

C11H19NO4 — CID 102849858

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide
SMILESC=C(C)COCCNC(=O)C1OCCCO1
InChIInChI=1S/C11H19NO4/c1-9(2)8-14-7-4-12-10(13)11-15-5-3-6-16-11/h11H,1,3-8H2,2H3,(H,12,13)
InChIKeyDRZYCWZXBGLVFQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.46
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide (PubChem CID 102849858) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide
PubChem CID102849858
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide
SMILESC=C(C)COCCNC(=O)C1OCCCO1
InChIInChI=1S/C11H19NO4/c1-9(2)8-14-7-4-12-10(13)11-15-5-3-6-16-11/h11H,1,3-8H2,2H3,(H,12,13)
InChIKeyDRZYCWZXBGLVFQ-UHFFFAOYSA-N
XLogP0.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]oxane-3-carboxamide
CID 115700210
3-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 114465427
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
2-cyclohexyl-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 113258414
cis-(1R,3S)-2,2-dimethyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114093097
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 115700393
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
1-amino-N-[2-(2-methylprop-2-enoxy)ethyl]cyclobutane-1-carboxamide
CID 114467928
N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 115700275

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide (CID 102849858) is N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide is C=C(C)COCCNC(=O)C1OCCCO1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide?
The InChIKey is DRZYCWZXBGLVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(2)8-14-7-4-12-10(13)11-15-5-3-6-16-11/h11H,1,3-8H2,2H3,(H,12,13).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide is sourced from PubChem (CID 102849858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).