2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide

C21H21N3O3 — CID 41077087

IUPAC2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C21H21N3O3/c1-2-14-7-4-6-10-17(14)22-18(25)13-24-19(26)21(23-20(24)27)12-11-15-8-3-5-9-16(15)21/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyVHDXCGPZWQUYTQ-OAQYLSRUSA-N
MW363.42 g/mol
LogP2.58
Rot. Bonds4

About 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide

2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 41077087) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
PubChem CID41077087
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O
InChIInChI=1S/C21H21N3O3/c1-2-14-7-4-6-10-17(14)22-18(25)13-24-19(26)21(23-20(24)27)12-11-15-8-3-5-9-16(15)21/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyVHDXCGPZWQUYTQ-OAQYLSRUSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439952
2-[4-[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55363794
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 40857362
N-(2-acetylphenyl)-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2702812
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 2680854
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7859107
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methylphenyl)acetamide
CID 2706018
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 2702897
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-(3-ethylphenyl)acetamide
CID 16546281
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240543
N-(2-chloro-3-pyridinyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 4289491

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide (CID 41077087) is 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O.
What is the InChIKey of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is VHDXCGPZWQUYTQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-14-7-4-6-10-17(14)22-18(25)13-24-19(26)21(23-20(24)27)12-11-15-8-3-5-9-16(15)21/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,27)/t21-/m1/s1.
What are the key properties of 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide?
2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 41077087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).