ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate

C18H20N2O3 — CID 2920016

IUPACethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H20N2O3/c1-2-23-16(21)11-19-18(22)17-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)17/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,19,22)
InChIKeyHRJFKTSUZZNDJW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.41
Rot. Bonds4

About ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate

ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate (PubChem CID 2920016) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate
PubChem CID2920016
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H20N2O3/c1-2-23-16(21)11-19-18(22)17-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)17/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,19,22)
InChIKeyHRJFKTSUZZNDJW-UHFFFAOYSA-N
XLogP2.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate?
The IUPAC name of ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate (CID 2920016) is ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate is CCOC(=O)CNC(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate?
The InChIKey is HRJFKTSUZZNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-16(21)11-19-18(22)17-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)17/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,19,22).
What are the key properties of ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate?
ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate has a molecular weight of 312.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)acetate is sourced from PubChem (CID 2920016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).