2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide

C15H27NO3 — CID 43793790

IUPAC2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)COC1CCCC(C)C1)C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)15(12(4)17)16-14(18)9-19-13-7-5-6-11(3)8-13/h10-11,13,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyHDMHRSYTZNHYCF-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.31
Rot. Bonds6

About 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 43793790) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID43793790
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)COC1CCCC(C)C1)C(C)C
InChIInChI=1S/C15H27NO3/c1-10(2)15(12(4)17)16-14(18)9-19-13-7-5-6-11(3)8-13/h10-11,13,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyHDMHRSYTZNHYCF-UHFFFAOYSA-N
XLogP2.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 43793790) is 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)COC1CCCC(C)C1)C(C)C.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is HDMHRSYTZNHYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-10(2)15(12(4)17)16-14(18)9-19-13-7-5-6-11(3)8-13/h10-11,13,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 269.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 43793790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).