N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide

C13H23NO3 — CID 112602797

IUPACN-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide
SMILESCN(C(=O)COC(C)(C)C)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-9-12(16)14(4)10-5-7-11(15)8-6-10/h10H,5-9H2,1-4H3
InChIKeyUYYRXMPAHHRUBD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide

N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide (PubChem CID 112602797) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide
PubChem CID112602797
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide
SMILESCN(C(=O)COC(C)(C)C)C1CCC(=O)CC1
InChIInChI=1S/C13H23NO3/c1-13(2,3)17-9-12(16)14(4)10-5-7-11(15)8-6-10/h10H,5-9H2,1-4H3
InChIKeyUYYRXMPAHHRUBD-UHFFFAOYSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide?
The IUPAC name of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide (CID 112602797) is N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide.
What is the SMILES notation for N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide?
The canonical SMILES for N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide is CN(C(=O)COC(C)(C)C)C1CCC(=O)CC1.
What is the InChIKey of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide?
The InChIKey is UYYRXMPAHHRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(2,3)17-9-12(16)14(4)10-5-7-11(15)8-6-10/h10H,5-9H2,1-4H3.
What are the key properties of N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide?
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(4-oxocyclohexyl)acetamide is sourced from PubChem (CID 112602797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).