N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide

C13H23NO2 — CID 58834298

IUPACN-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(C(C)(C)C(C)=O)CC1
InChIInChI=1S/C13H23NO2/c1-9(15)13(3,4)11-5-7-12(8-6-11)14-10(2)16/h11-12H,5-8H2,1-4H3,(H,14,16)
InChIKeyQRZCIMMFMHAENU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide

N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide (PubChem CID 58834298) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide
PubChem CID58834298
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(C(C)(C)C(C)=O)CC1
InChIInChI=1S/C13H23NO2/c1-9(15)13(3,4)11-5-7-12(8-6-11)14-10(2)16/h11-12H,5-8H2,1-4H3,(H,14,16)
InChIKeyQRZCIMMFMHAENU-UHFFFAOYSA-N
XLogP2.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide (CID 58834298) is N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide is CC(=O)NC1CCC(C(C)(C)C(C)=O)CC1.
What is the InChIKey of N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide?
The InChIKey is QRZCIMMFMHAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(15)13(3,4)11-5-7-12(8-6-11)14-10(2)16/h11-12H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide?
N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide has a molecular weight of 225.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-3-oxobutan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 58834298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).