[4-(ethylcarbamoyl)cyclohexyl] butanoate

C13H23NO3 — CID 91199976

IUPAC[4-(ethylcarbamoyl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(C(=O)NCC)CC1
InChIInChI=1S/C13H23NO3/c1-3-5-12(15)17-11-8-6-10(7-9-11)13(16)14-4-2/h10-11H,3-9H2,1-2H3,(H,14,16)
InChIKeySAPLGXJZXUNNPM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds5

About [4-(ethylcarbamoyl)cyclohexyl] butanoate

[4-(ethylcarbamoyl)cyclohexyl] butanoate (PubChem CID 91199976) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(ethylcarbamoyl)cyclohexyl] butanoate.

Molecular Properties

Compound Name[4-(ethylcarbamoyl)cyclohexyl] butanoate
PubChem CID91199976
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name[4-(ethylcarbamoyl)cyclohexyl] butanoate
SMILESCCCC(=O)OC1CCC(C(=O)NCC)CC1
InChIInChI=1S/C13H23NO3/c1-3-5-12(15)17-11-8-6-10(7-9-11)13(16)14-4-2/h10-11H,3-9H2,1-2H3,(H,14,16)
InChIKeySAPLGXJZXUNNPM-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoyl)cyclohexyl] butanoate?
The IUPAC name of [4-(ethylcarbamoyl)cyclohexyl] butanoate (CID 91199976) is [4-(ethylcarbamoyl)cyclohexyl] butanoate.
What is the SMILES notation for [4-(ethylcarbamoyl)cyclohexyl] butanoate?
The canonical SMILES for [4-(ethylcarbamoyl)cyclohexyl] butanoate is CCCC(=O)OC1CCC(C(=O)NCC)CC1.
What is the InChIKey of [4-(ethylcarbamoyl)cyclohexyl] butanoate?
The InChIKey is SAPLGXJZXUNNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-5-12(15)17-11-8-6-10(7-9-11)13(16)14-4-2/h10-11H,3-9H2,1-2H3,(H,14,16).
What are the key properties of [4-(ethylcarbamoyl)cyclohexyl] butanoate?
[4-(ethylcarbamoyl)cyclohexyl] butanoate has a molecular weight of 241.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoyl)cyclohexyl] butanoate is sourced from PubChem (CID 91199976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).