3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C22H22N2O4 — CID 42898870

IUPAC3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)c1ccc(C(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-14(2)15-7-9-16(10-8-15)18(25)13-24-20(26)22(23-21(24)27)11-12-28-19-6-4-3-5-17(19)22/h3-10,14H,11-13H2,1-2H3,(H,23,27)
InChIKeyQKPSCLFLQRQXFL-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.22
Rot. Bonds4

About 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 42898870) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID42898870
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESCC(C)c1ccc(C(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-14(2)15-7-9-16(10-8-15)18(25)13-24-20(26)22(23-21(24)27)11-12-28-19-6-4-3-5-17(19)22/h3-10,14H,11-13H2,1-2H3,(H,23,27)
InChIKeyQKPSCLFLQRQXFL-UHFFFAOYSA-N
XLogP3.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-[2-(4-tert-butylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 51488858
(4S)-3'-[2-(4-ethylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40630931
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 4790868
N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
CID 40859338
N-[4-[2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
CID 40859344
3'-[2-oxo-2-(4-phenoxyphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46602131
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
(4S)-3'-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2413694
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
3'-[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17473546
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318

Frequently Asked Questions

What is the IUPAC name of 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 42898870) is 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is CC(C)c1ccc(C(=O)CN2C(=O)NC3(CCOc4ccccc43)C2=O)cc1.
What is the InChIKey of 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is QKPSCLFLQRQXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(2)15-7-9-16(10-8-15)18(25)13-24-20(26)22(23-21(24)27)11-12-28-19-6-4-3-5-17(19)22/h3-10,14H,11-13H2,1-2H3,(H,23,27).
What are the key properties of 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 378.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 42898870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).