N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide

C19H24N2O4 — CID 19734609

IUPACN-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)C(N1CCCC1=O)C(O)C(C)(C)C2=O
InChIInChI=1S/C19H24N2O4/c1-11(22)20(4)12-7-8-13-14(10-12)16(21-9-5-6-15(21)23)18(25)19(2,3)17(13)24/h7-8,10,16,18,25H,5-6,9H2,1-4H3
InChIKeyQIQORYFYGIJBDX-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.92
Rot. Bonds2

About N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide

N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide (PubChem CID 19734609) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide
PubChem CID19734609
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)C(N1CCCC1=O)C(O)C(C)(C)C2=O
InChIInChI=1S/C19H24N2O4/c1-11(22)20(4)12-7-8-13-14(10-12)16(21-9-5-6-15(21)23)18(25)19(2,3)17(13)24/h7-8,10,16,18,25H,5-6,9H2,1-4H3
InChIKeyQIQORYFYGIJBDX-UHFFFAOYSA-N
XLogP1.92
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide?
The IUPAC name of N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide (CID 19734609) is N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide?
The canonical SMILES for N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide is CC(=O)N(C)c1ccc2c(c1)C(N1CCCC1=O)C(O)C(C)(C)C2=O.
What is the InChIKey of N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide?
The InChIKey is QIQORYFYGIJBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11(22)20(4)12-7-8-13-14(10-12)16(21-9-5-6-15(21)23)18(25)19(2,3)17(13)24/h7-8,10,16,18,25H,5-6,9H2,1-4H3.
What are the key properties of N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide?
N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide has a molecular weight of 344.41 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-hydroxy-6,6-dimethyl-5-oxo-8-(2-oxopyrrolidin-1-yl)-7,8-dihydronaphthalen-2-yl]-N-methylacetamide is sourced from PubChem (CID 19734609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).