N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide

C13H25NO3 — CID 130466648

IUPACN,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide
SMILESCNC(=O)C(CC(=O)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)10(15)8-9(11(16)14-7)17-13(4,5)6/h9H,8H2,1-7H3,(H,14,16)
InChIKeyHOTMVNRZAZGWGE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.92
Rot. Bonds4

About N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide

N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide (PubChem CID 130466648) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide.

Molecular Properties

Compound NameN,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide
PubChem CID130466648
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide
SMILESCNC(=O)C(CC(=O)C(C)(C)C)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)10(15)8-9(11(16)14-7)17-13(4,5)6/h9H,8H2,1-7H3,(H,14,16)
InChIKeyHOTMVNRZAZGWGE-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide?
The IUPAC name of N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide (CID 130466648) is N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide.
What is the SMILES notation for N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide?
The canonical SMILES for N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide is CNC(=O)C(CC(=O)C(C)(C)C)OC(C)(C)C.
What is the InChIKey of N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide?
The InChIKey is HOTMVNRZAZGWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)10(15)8-9(11(16)14-7)17-13(4,5)6/h9H,8H2,1-7H3,(H,14,16).
What are the key properties of N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide?
N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide has a molecular weight of 243.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2-[(2-methylpropan-2-yl)oxy]-4-oxohexanamide is sourced from PubChem (CID 130466648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).