N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

C24H28N4O5 — CID 17436239

IUPACN-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N4O5/c29-19(25-21(31)26-23-10-14-7-15(11-23)9-16(8-14)12-23)13-28-20(30)24(27-22(28)32)5-6-33-18-4-2-1-3-17(18)24/h1-4,14-16H,5-13H2,(H,27,32)(H2,25,26,29,31)
InChIKeyNQHDEYGJYSRXPQ-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.01
Rot. Bonds3

About N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide

N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (PubChem CID 17436239) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
PubChem CID17436239
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC NameN-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N4O5/c29-19(25-21(31)26-23-10-14-7-15(11-23)9-16(8-14)12-23)13-28-20(30)24(27-22(28)32)5-6-33-18-4-2-1-3-17(18)24/h1-4,14-16H,5-13H2,(H,27,32)(H2,25,26,29,31)
InChIKeyNQHDEYGJYSRXPQ-UHFFFAOYSA-N
XLogP2.01
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-phenylethyl)acetamide
CID 2416765
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2-fluorophenyl)acetamide
CID 42051814
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 25345422
(4S)-3'-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40882788
3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 3527073
(4S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442760
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2459892

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide (CID 17436239) is N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is O=C(CN1C(=O)NC2(CCOc3ccccc32)C1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
The InChIKey is NQHDEYGJYSRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c29-19(25-21(31)26-23-10-14-7-15(11-23)9-16(8-14)12-23)13-28-20(30)24(27-22(28)32)5-6-33-18-4-2-1-3-17(18)24/h1-4,14-16H,5-13H2,(H,27,32)(H2,25,26,29,31).
What are the key properties of N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide?
N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide has a molecular weight of 452.51 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetamide is sourced from PubChem (CID 17436239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).