5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide

About 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 164787198) has the molecular formula C24H27FN2O5 and a molecular weight of 442.49 g/mol. Its IUPAC name is 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name	5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide
PubChem CID	164787198
Molecular Formula	C24H27FN2O5
Molecular Weight	442.49 g/mol
Exact Mass	442.19
IUPAC Name	5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide
SMILES	CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ccc(C#CC(C)(C)O)c2cc(C(N)=O)c(OC)cc12
InChI	InChI=1S/C24H27FN2O5/c1-5-14-18(27-23(29)21(14)25)12-32-19-7-6-13(8-9-24(2,3)30)15-10-17(22(26)28)20(31-4)11-16(15)19/h6-7,10-11,14,18,21,30H,5,12H2,1-4H3,(H2,26,28)(H,27,29)/t14-,18+,21-/m0/s1
InChIKey	DCLPBYNSMBSEBO-HLLQZAQXSA-N
XLogP	2.31
TPSA	110.88 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide?

The IUPAC name of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide (CID 164787198) is 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide.

What is the SMILES notation for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide?

The canonical SMILES for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide is CC[C@@H]1[C@H](F)C(=O)N[C@@H]1COc1ccc(C#CC(C)(C)O)c2cc(C(N)=O)c(OC)cc12.

What is the InChIKey of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide?

The InChIKey is DCLPBYNSMBSEBO-HLLQZAQXSA-N. The full InChI is InChI=1S/C24H27FN2O5/c1-5-14-18(27-23(29)21(14)25)12-32-19-7-6-13(8-9-24(2,3)30)15-10-17(22(26)28)20(31-4)11-16(15)19/h6-7,10-11,14,18,21,30H,5,12H2,1-4H3,(H2,26,28)(H,27,29)/t14-,18+,21-/m0/s1.

What are the key properties of 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide?

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-8-(3-hydroxy-3-methylbut-1-ynyl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 164787198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).