ethyl 2-(dicyclohexylamino)-2-oxoacetate

C16H27NO3 — CID 60895202

IUPACethyl 2-(dicyclohexylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-2-20-16(19)15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
InChIKeyGARWSTUGHJMFRZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.04
Rot. Bonds3

About ethyl 2-(dicyclohexylamino)-2-oxoacetate

ethyl 2-(dicyclohexylamino)-2-oxoacetate (PubChem CID 60895202) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is ethyl 2-(dicyclohexylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(dicyclohexylamino)-2-oxoacetate
PubChem CID60895202
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Nameethyl 2-(dicyclohexylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c1-2-20-16(19)15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3
InChIKeyGARWSTUGHJMFRZ-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dicyclohexylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(dicyclohexylamino)-2-oxoacetate (CID 60895202) is ethyl 2-(dicyclohexylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(dicyclohexylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(dicyclohexylamino)-2-oxoacetate is CCOC(=O)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of ethyl 2-(dicyclohexylamino)-2-oxoacetate?
The InChIKey is GARWSTUGHJMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-20-16(19)15(18)17(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-14H,2-12H2,1H3.
What are the key properties of ethyl 2-(dicyclohexylamino)-2-oxoacetate?
ethyl 2-(dicyclohexylamino)-2-oxoacetate has a molecular weight of 281.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dicyclohexylamino)-2-oxoacetate is sourced from PubChem (CID 60895202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).