methyl 2-(1-acetamidocyclohexyl)acetate

C11H19NO3 — CID 139719660

IUPACmethyl 2-(1-acetamidocyclohexyl)acetate
SMILESCOC(=O)CC1(NC(C)=O)CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-11(8-10(14)15-2)6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyQUOUNJQUUWLWFX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.39
Rot. Bonds3

About methyl 2-(1-acetamidocyclohexyl)acetate

methyl 2-(1-acetamidocyclohexyl)acetate (PubChem CID 139719660) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(1-acetamidocyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-acetamidocyclohexyl)acetate
PubChem CID139719660
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(1-acetamidocyclohexyl)acetate
SMILESCOC(=O)CC1(NC(C)=O)CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-11(8-10(14)15-2)6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyQUOUNJQUUWLWFX-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-acetamidocyclohexyl)acetate?
The IUPAC name of methyl 2-(1-acetamidocyclohexyl)acetate (CID 139719660) is methyl 2-(1-acetamidocyclohexyl)acetate.
What is the SMILES notation for methyl 2-(1-acetamidocyclohexyl)acetate?
The canonical SMILES for methyl 2-(1-acetamidocyclohexyl)acetate is COC(=O)CC1(NC(C)=O)CCCCC1.
What is the InChIKey of methyl 2-(1-acetamidocyclohexyl)acetate?
The InChIKey is QUOUNJQUUWLWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)12-11(8-10(14)15-2)6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-(1-acetamidocyclohexyl)acetate?
methyl 2-(1-acetamidocyclohexyl)acetate has a molecular weight of 213.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-acetamidocyclohexyl)acetate is sourced from PubChem (CID 139719660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).