N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide

C13H23NO3 — CID 58331684

IUPACN-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide
SMILESCC(=O)C(NC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(15)11(13(2,3)4)14-12(16)10-5-7-17-8-6-10/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyWFJYIMNWOJDLLA-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.53
Rot. Bonds3

About N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide

N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide (PubChem CID 58331684) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide
PubChem CID58331684
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide
SMILESCC(=O)C(NC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(15)11(13(2,3)4)14-12(16)10-5-7-17-8-6-10/h10-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyWFJYIMNWOJDLLA-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide?
The IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide (CID 58331684) is N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide is CC(=O)C(NC(=O)C1CCOCC1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide?
The InChIKey is WFJYIMNWOJDLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(15)11(13(2,3)4)14-12(16)10-5-7-17-8-6-10/h10-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide?
N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxopentan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 58331684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).