N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide

C12H21NO3 — CID 115700210

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCOC1
InChIInChI=1S/C12H21NO3/c1-10(2)8-16-7-5-13-12(14)11-4-3-6-15-9-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyHJRYCIUDDBSDOB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.12
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide (PubChem CID 115700210) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
PubChem CID115700210
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCOC1
InChIInChI=1S/C12H21NO3/c1-10(2)8-16-7-5-13-12(14)11-4-3-6-15-9-11/h11H,1,3-9H2,2H3,(H,13,14)
InChIKeyHJRYCIUDDBSDOB-UHFFFAOYSA-N
XLogP1.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
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

2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
N-[2-(2-methylprop-2-enoxy)ethyl]-1,3-dioxane-2-carboxamide
CID 102849858
2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
CID 115908252
1-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115759183
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
CID 63869806
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-[[2-(bromomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 114317134
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide (CID 115700210) is N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide is C=C(C)COCCNC(=O)C1CCCOC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide?
The InChIKey is HJRYCIUDDBSDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-10(2)8-16-7-5-13-12(14)11-4-3-6-15-9-11/h11H,1,3-9H2,2H3,(H,13,14).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide has a molecular weight of 227.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide is sourced from PubChem (CID 115700210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).