N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide

C14H27NO2 — CID 58033925

IUPACN-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide
SMILESCCN(C(=O)C1CCOC(C)(C)C1)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-15(13(2,3)4)12(16)11-8-9-17-14(5,6)10-11/h11H,7-10H2,1-6H3
InChIKeyAGFSDCYSXUDWNM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds2

About N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide

N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide (PubChem CID 58033925) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide
PubChem CID58033925
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide
SMILESCCN(C(=O)C1CCOC(C)(C)C1)C(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-15(13(2,3)4)12(16)11-8-9-17-14(5,6)10-11/h11H,7-10H2,1-6H3
InChIKeyAGFSDCYSXUDWNM-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide (CID 58033925) is N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide is CCN(C(=O)C1CCOC(C)(C)C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide?
The InChIKey is AGFSDCYSXUDWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-15(13(2,3)4)12(16)11-8-9-17-14(5,6)10-11/h11H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide?
N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 58033925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).