N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide

C10H19NO3 — CID 82724816

IUPACN-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide
SMILESCC(C)(C)ONC(=O)C1CCOCC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-11-9(12)8-4-6-13-7-5-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyMAMGCTYETYYVBA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.26
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide

N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide (PubChem CID 82724816) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide
PubChem CID82724816
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide
SMILESCC(C)(C)ONC(=O)C1CCOCC1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-11-9(12)8-4-6-13-7-5-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyMAMGCTYETYYVBA-UHFFFAOYSA-N
XLogP1.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide (CID 82724816) is N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide is CC(C)(C)ONC(=O)C1CCOCC1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide?
The InChIKey is MAMGCTYETYYVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-11-9(12)8-4-6-13-7-5-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide?
N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide has a molecular weight of 201.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]oxane-4-carboxamide is sourced from PubChem (CID 82724816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).