N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide

C16H29NO3 — CID 58938815

IUPACN-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide
SMILESCC(C)(C)C(=O)C(NC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C16H29NO3/c1-15(2,3)12(13(18)16(4,5)6)17-14(19)11-7-9-20-10-8-11/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKeyJYRGMBHRZFNXED-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.56
Rot. Bonds3

About N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide

N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide (PubChem CID 58938815) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide
PubChem CID58938815
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide
SMILESCC(C)(C)C(=O)C(NC(=O)C1CCOCC1)C(C)(C)C
InChIInChI=1S/C16H29NO3/c1-15(2,3)12(13(18)16(4,5)6)17-14(19)11-7-9-20-10-8-11/h11-12H,7-10H2,1-6H3,(H,17,19)
InChIKeyJYRGMBHRZFNXED-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide?
The IUPAC name of N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide (CID 58938815) is N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide?
The canonical SMILES for N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide is CC(C)(C)C(=O)C(NC(=O)C1CCOCC1)C(C)(C)C.
What is the InChIKey of N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide?
The InChIKey is JYRGMBHRZFNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)12(13(18)16(4,5)6)17-14(19)11-7-9-20-10-8-11/h11-12H,7-10H2,1-6H3,(H,17,19).
What are the key properties of N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide?
N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 58938815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).