(5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione

C26H25NO4 — CID 91527302

IUPAC(5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
SMILESCOc1ccc2cc([C@H](C)C(=O)C3C(=O)N[C@H](CCc4ccccc4)C3=O)ccc2c1
InChIInChI=1S/C26H25NO4/c1-16(18-9-10-20-15-21(31-2)12-11-19(20)14-18)24(28)23-25(29)22(27-26(23)30)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-16,22-23H,8,13H2,1-2H3,(H,27,30)/t16-,22+,23?/m0/s1
InChIKeySHUFMOMEUOJFFB-JGTULBKXSA-N
MW415.49 g/mol
LogP3.84
Rot. Bonds7

About (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione

(5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione (PubChem CID 91527302) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
PubChem CID91527302
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name(5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione
SMILESCOc1ccc2cc([C@H](C)C(=O)C3C(=O)N[C@H](CCc4ccccc4)C3=O)ccc2c1
InChIInChI=1S/C26H25NO4/c1-16(18-9-10-20-15-21(31-2)12-11-19(20)14-18)24(28)23-25(29)22(27-26(23)30)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-16,22-23H,8,13H2,1-2H3,(H,27,30)/t16-,22+,23?/m0/s1
InChIKeySHUFMOMEUOJFFB-JGTULBKXSA-N
XLogP3.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
3-(3-methylsulfanylpropanoyl)-5-(2-phenylethyl)pyrrolidine-2,4-dione
CID 90971093
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
(3-phenylmethoxyphenyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102519033
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione (CID 91527302) is (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione is COc1ccc2cc([C@H](C)C(=O)C3C(=O)N[C@H](CCc4ccccc4)C3=O)ccc2c1.
What is the InChIKey of (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
The InChIKey is SHUFMOMEUOJFFB-JGTULBKXSA-N. The full InChI is InChI=1S/C26H25NO4/c1-16(18-9-10-20-15-21(31-2)12-11-19(20)14-18)24(28)23-25(29)22(27-26(23)30)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-16,22-23H,8,13H2,1-2H3,(H,27,30)/t16-,22+,23?/m0/s1.
What are the key properties of (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione?
(5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-5-(2-phenylethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 91527302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).