ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate

C24H25NO5 — CID 2898051

IUPACethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
InChIInChI=1S/C24H25NO5/c1-2-30-22(27)15-25-20-10-6-5-9-19(20)24(29,23(25)28)14-21(26)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,29H,2-4,7-8,14-15H2,1H3
InChIKeyVVFSYWMRIQEVPN-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.94
Rot. Bonds6

About ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate

ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate (PubChem CID 2898051) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate
PubChem CID2898051
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Nameethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
InChIInChI=1S/C24H25NO5/c1-2-30-22(27)15-25-20-10-6-5-9-19(20)24(29,23(25)28)14-21(26)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,29H,2-4,7-8,14-15H2,1H3
InChIKeyVVFSYWMRIQEVPN-UHFFFAOYSA-N
XLogP2.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate (CID 2898051) is ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21.
What is the InChIKey of ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?
The InChIKey is VVFSYWMRIQEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-2-30-22(27)15-25-20-10-6-5-9-19(20)24(29,23(25)28)14-21(26)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,29H,2-4,7-8,14-15H2,1H3.
What are the key properties of ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?
ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate has a molecular weight of 407.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate is sourced from PubChem (CID 2898051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).