ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate

C18H24N2O3 — CID 146503745

IUPACethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1cc2c(c3c1CCCC3)CCC2
InChIInChI=1S/C18H24N2O3/c1-2-23-17(21)11-19-18(22)20-16-10-12-6-5-9-13(12)14-7-3-4-8-15(14)16/h10H,2-9,11H2,1H3,(H2,19,20,22)
InChIKeyIXXJSPXSINECPT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.74
Rot. Bonds4

About ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate

ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate (PubChem CID 146503745) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate
PubChem CID146503745
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1cc2c(c3c1CCCC3)CCC2
InChIInChI=1S/C18H24N2O3/c1-2-23-17(21)11-19-18(22)20-16-10-12-6-5-9-13(12)14-7-3-4-8-15(14)16/h10H,2-9,11H2,1H3,(H2,19,20,22)
InChIKeyIXXJSPXSINECPT-UHFFFAOYSA-N
XLogP2.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate (CID 146503745) is ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)Nc1cc2c(c3c1CCCC3)CCC2.
What is the InChIKey of ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate?
The InChIKey is IXXJSPXSINECPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-23-17(21)11-19-18(22)20-16-10-12-6-5-9-13(12)14-7-3-4-8-15(14)16/h10H,2-9,11H2,1H3,(H2,19,20,22).
What are the key properties of ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate?
ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate has a molecular weight of 316.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-5-ylcarbamoylamino)acetate is sourced from PubChem (CID 146503745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).