N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide

C24H29N3O3 — CID 7240473

IUPACN-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H29N3O3/c28-20(25-21-17-9-14-8-15(11-17)12-18(21)10-14)13-27-22(29)24(26-23(27)30)7-3-5-16-4-1-2-6-19(16)24/h1-2,4,6,14-15,17-18,21H,3,5,7-13H2,(H,25,28)(H,26,30)/t14?,15?,17?,18?,21?,24-/m1/s1
InChIKeyFYCCIGGITHAIST-VNUXEEDPSA-N
MW407.51 g/mol
LogP2.71
Rot. Bonds3

About N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide

N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 7240473) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
PubChem CID7240473
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H29N3O3/c28-20(25-21-17-9-14-8-15(11-17)12-18(21)10-14)13-27-22(29)24(26-23(27)30)7-3-5-16-4-1-2-6-19(16)24/h1-2,4,6,14-15,17-18,21H,3,5,7-13H2,(H,25,28)(H,26,30)/t14?,15?,17?,18?,21?,24-/m1/s1
InChIKeyFYCCIGGITHAIST-VNUXEEDPSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.71
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

N-cyclopentyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 4010714
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 2680847
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methoxyacetamide
CID 42925453
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227786
N-(2,6-dichlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2473930
N'-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-2-phenylacetohydrazide
CID 27227787
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(methylcarbamoyl)acetamide
CID 2633587
4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119230357
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 51202201
2-(2',5'-dioxospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,4'-imidazolidine]-1'-yl)-N-phenylacetamide
CID 42964281

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide (CID 7240473) is N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is FYCCIGGITHAIST-VNUXEEDPSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-20(25-21-17-9-14-8-15(11-17)12-18(21)10-14)13-27-22(29)24(26-23(27)30)7-3-5-16-4-1-2-6-19(16)24/h1-2,4,6,14-15,17-18,21H,3,5,7-13H2,(H,25,28)(H,26,30)/t14?,15?,17?,18?,21?,24-/m1/s1.
What are the key properties of N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide?
N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 7240473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).