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

C21H27N3O3 — CID 2680847

IUPACN-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCCCCCC1
InChIInChI=1S/C21H27N3O3/c25-18(22-16-9-4-2-1-3-5-10-16)14-24-19(26)21(23-20(24)27)13-12-15-8-6-7-11-17(15)21/h6-8,11,16H,1-5,9-10,12-14H2,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyDHAWHRCOMONXQJ-OAQYLSRUSA-N
MW369.47 g/mol
LogP2.61
Rot. Bonds3

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

N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (PubChem CID 2680847) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
PubChem CID2680847
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
SMILESO=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCCCCCC1
InChIInChI=1S/C21H27N3O3/c25-18(22-16-9-4-2-1-3-5-10-16)14-24-19(26)21(23-20(24)27)13-12-15-8-6-7-11-17(15)21/h6-8,11,16H,1-5,9-10,12-14H2,(H,22,25)(H,23,27)/t21-/m1/s1
InChIKeyDHAWHRCOMONXQJ-OAQYLSRUSA-N
XLogP2.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.61
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
4-[[2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119230357
N-[2-(aminomethyl)cyclohexyl]-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
CID 119611096
N-(2-amino-1-cyclohexylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide;hydrochloride
CID 119590819
N-(2-adamantyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7240473
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 17395661
N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 51202201
(3S)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2702948
3'-(cyclohexylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 84601499
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92509614
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide (CID 2680847) is N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
The InChIKey is DHAWHRCOMONXQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-18(22-16-9-4-2-1-3-5-10-16)14-24-19(26)21(23-20(24)27)13-12-15-8-6-7-11-17(15)21/h6-8,11,16H,1-5,9-10,12-14H2,(H,22,25)(H,23,27)/t21-/m1/s1.
What are the key properties of N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide?
N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(3R)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide is sourced from PubChem (CID 2680847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).