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

C18H23N3O3 — CID 5162697

IUPAC2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)12-21-16(23)18(19-17(21)24)10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
InChIKeyINJHUNQUROGQAD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds4

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

2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide (PubChem CID 5162697) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
PubChem CID5162697
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)12-21-16(23)18(19-17(21)24)10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24)
InChIKeyINJHUNQUROGQAD-UHFFFAOYSA-N
XLogP1.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
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[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-phenyl-N-propan-2-ylacetamide
CID 84601405
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 84601373
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
3'-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 112774183
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-prop-2-enylacetamide
CID 84601367
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 55398366
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(4-fluorophenyl)acetamide
CID 3662145
3'-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4878925
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 111469932
N-(2,6-dichlorophenyl)-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetamide
CID 112774177

Frequently Asked Questions

What is the IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide (CID 5162697) is 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide is CCN(CC)C(=O)CN1C(=O)NC2(CCc3ccccc3C2)C1=O.
What is the InChIKey of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide?
The InChIKey is INJHUNQUROGQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20(4-2)15(22)12-21-16(23)18(19-17(21)24)10-9-13-7-5-6-8-14(13)11-18/h5-8H,3-4,9-12H2,1-2H3,(H,19,24).
What are the key properties of 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide?
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide has a molecular weight of 329.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide is sourced from PubChem (CID 5162697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).