(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C22H21N3O3 — CID 2464913

IUPAC(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C22H21N3O3/c26-19(24-13-11-16-7-2-4-10-18(16)24)14-25-20(27)22(23-21(25)28)12-5-8-15-6-1-3-9-17(15)22/h1-4,6-7,9-10H,5,8,11-14H2,(H,23,28)/t22-/m1/s1
InChIKeyFMVNZTQMKXTOHL-JOCHJYFZSA-N
MW375.43 g/mol
LogP2.36
Rot. Bonds2

About (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2464913) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID2464913
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C22H21N3O3/c26-19(24-13-11-16-7-2-4-10-18(16)24)14-25-20(27)22(23-21(25)28)12-5-8-15-6-1-3-9-17(15)22/h1-4,6-7,9-10H,5,8,11-14H2,(H,23,28)/t22-/m1/s1
InChIKeyFMVNZTQMKXTOHL-JOCHJYFZSA-N
XLogP2.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
3'-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4811780
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(5S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 41138995
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
methyl 1-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55514918
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
(5R)-5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083343
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
(4R)-3'-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240524
3'-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 24631472

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 2464913) is (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CC(=O)N1CCc2ccccc21.
What is the InChIKey of (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is FMVNZTQMKXTOHL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-19(24-13-11-16-7-2-4-10-18(16)24)14-25-20(27)22(23-21(25)28)12-5-8-15-6-1-3-9-17(15)22/h1-4,6-7,9-10H,5,8,11-14H2,(H,23,28)/t22-/m1/s1.
What are the key properties of (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 375.43 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2464913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).