[2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate

C14H25NO3 — CID 134856681

IUPAC[2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate
SMILESCCCCNC(=O)C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-10-15-14(17)13(18-11(2)16)12-8-6-5-7-9-12/h12-13H,3-10H2,1-2H3,(H,15,17)
InChIKeySRTUHKYCGVJSRX-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.41
Rot. Bonds6

About [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate

[2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate (PubChem CID 134856681) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate
PubChem CID134856681
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate
SMILESCCCCNC(=O)C(OC(C)=O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-4-10-15-14(17)13(18-11(2)16)12-8-6-5-7-9-12/h12-13H,3-10H2,1-2H3,(H,15,17)
InChIKeySRTUHKYCGVJSRX-UHFFFAOYSA-N
XLogP2.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate?
The IUPAC name of [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate (CID 134856681) is [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate.
What is the SMILES notation for [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate?
The canonical SMILES for [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate is CCCCNC(=O)C(OC(C)=O)C1CCCCC1.
What is the InChIKey of [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate?
The InChIKey is SRTUHKYCGVJSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-10-15-14(17)13(18-11(2)16)12-8-6-5-7-9-12/h12-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate?
[2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate has a molecular weight of 255.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-1-cyclohexyl-2-oxoethyl] acetate is sourced from PubChem (CID 134856681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).