N-tert-butyloxane-2-carboxamide

C10H19NO2 — CID 64593242

IUPACN-tert-butyloxane-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCO1
InChIInChI=1S/C10H19NO2/c1-10(2,3)11-9(12)8-6-4-5-7-13-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyPJQWBQYWOMSTQS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds1

About N-tert-butyloxane-2-carboxamide

N-tert-butyloxane-2-carboxamide (PubChem CID 64593242) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-tert-butyloxane-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyloxane-2-carboxamide
PubChem CID64593242
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-tert-butyloxane-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCCO1
InChIInChI=1S/C10H19NO2/c1-10(2,3)11-9(12)8-6-4-5-7-13-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyPJQWBQYWOMSTQS-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyloxane-2-carboxamide?
The IUPAC name of N-tert-butyloxane-2-carboxamide (CID 64593242) is N-tert-butyloxane-2-carboxamide.
What is the SMILES notation for N-tert-butyloxane-2-carboxamide?
The canonical SMILES for N-tert-butyloxane-2-carboxamide is CC(C)(C)NC(=O)C1CCCCO1.
What is the InChIKey of N-tert-butyloxane-2-carboxamide?
The InChIKey is PJQWBQYWOMSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)11-9(12)8-6-4-5-7-13-8/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyloxane-2-carboxamide?
N-tert-butyloxane-2-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyloxane-2-carboxamide is sourced from PubChem (CID 64593242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).