[4-(ethylcarbamoyl)cyclohexyl] acetate

C11H19NO3 — CID 23073233

IUPAC[4-(ethylcarbamoyl)cyclohexyl] acetate
SMILESCCNC(=O)C1CCC(OC(C)=O)CC1
InChIInChI=1S/C11H19NO3/c1-3-12-11(14)9-4-6-10(7-5-9)15-8(2)13/h9-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyAYLFIKSLJJIFMC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds3

About [4-(ethylcarbamoyl)cyclohexyl] acetate

[4-(ethylcarbamoyl)cyclohexyl] acetate (PubChem CID 23073233) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [4-(ethylcarbamoyl)cyclohexyl] acetate.

Molecular Properties

Compound Name[4-(ethylcarbamoyl)cyclohexyl] acetate
PubChem CID23073233
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[4-(ethylcarbamoyl)cyclohexyl] acetate
SMILESCCNC(=O)C1CCC(OC(C)=O)CC1
InChIInChI=1S/C11H19NO3/c1-3-12-11(14)9-4-6-10(7-5-9)15-8(2)13/h9-10H,3-7H2,1-2H3,(H,12,14)
InChIKeyAYLFIKSLJJIFMC-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoyl)cyclohexyl] acetate?
The IUPAC name of [4-(ethylcarbamoyl)cyclohexyl] acetate (CID 23073233) is [4-(ethylcarbamoyl)cyclohexyl] acetate.
What is the SMILES notation for [4-(ethylcarbamoyl)cyclohexyl] acetate?
The canonical SMILES for [4-(ethylcarbamoyl)cyclohexyl] acetate is CCNC(=O)C1CCC(OC(C)=O)CC1.
What is the InChIKey of [4-(ethylcarbamoyl)cyclohexyl] acetate?
The InChIKey is AYLFIKSLJJIFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-12-11(14)9-4-6-10(7-5-9)15-8(2)13/h9-10H,3-7H2,1-2H3,(H,12,14).
What are the key properties of [4-(ethylcarbamoyl)cyclohexyl] acetate?
[4-(ethylcarbamoyl)cyclohexyl] acetate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoyl)cyclohexyl] acetate is sourced from PubChem (CID 23073233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).