N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide

C15H27NO2 — CID 58363631

IUPACN-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)C1CCC1)C(C)(C)C
InChIInChI=1S/C15H27NO2/c1-14(2,3)11(12(17)15(4,5)6)16-13(18)10-8-7-9-10/h10-11H,7-9H2,1-6H3,(H,16,18)/t11-/m1/s1
InChIKeyVVGBZPTWBLTUPP-LLVKDONJSA-N
MW253.39 g/mol
LogP2.93
Rot. Bonds3

About N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide

N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide (PubChem CID 58363631) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide
PubChem CID58363631
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)C1CCC1)C(C)(C)C
InChIInChI=1S/C15H27NO2/c1-14(2,3)11(12(17)15(4,5)6)16-13(18)10-8-7-9-10/h10-11H,7-9H2,1-6H3,(H,16,18)/t11-/m1/s1
InChIKeyVVGBZPTWBLTUPP-LLVKDONJSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide (CID 58363631) is N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide is CC(C)(C)C(=O)[C@@H](NC(=O)C1CCC1)C(C)(C)C.
What is the InChIKey of N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide?
The InChIKey is VVGBZPTWBLTUPP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)11(12(17)15(4,5)6)16-13(18)10-8-7-9-10/h10-11H,7-9H2,1-6H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide?
N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 58363631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).