ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate

C20H20N2O5 — CID 9449858

IUPACethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C20H20N2O5/c1-2-26-17(23)15-8-10-27-16(15)12-22-18(24)20(21-19(22)25)9-7-13-5-3-4-6-14(13)11-20/h3-6,8,10H,2,7,9,11-12H2,1H3,(H,21,25)/t20-/m1/s1
InChIKeyAOHKVCLTKBVRJM-HXUWFJFHSA-N
MW368.39 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate

ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate (PubChem CID 9449858) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate
PubChem CID9449858
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Nameethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate
SMILESCCOC(=O)c1ccoc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O
InChIInChI=1S/C20H20N2O5/c1-2-26-17(23)15-8-10-27-16(15)12-22-18(24)20(21-19(22)25)9-7-13-5-3-4-6-14(13)11-20/h3-6,8,10H,2,7,9,11-12H2,1H3,(H,21,25)/t20-/m1/s1
InChIKeyAOHKVCLTKBVRJM-HXUWFJFHSA-N
XLogP2.44
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2998326
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 9171870
2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16300215
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 2425562
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)acetamide
CID 4567709
Methyl 5-[[4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 3000113
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(furan-2-ylmethyl)acetamide
CID 4881210
N-(furan-2-ylmethylcarbamoyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 9551884
1-(3-Methoxycarbonyl-2-furanylmethyl)-5-ethyl-6-(3,5-dimethyl-benzoyl)-2,4-pyrimidinedione
CID 15957823
1-(3-Methoxycarbonyl-2-furanylmethyl)-5-isopropyl-6-(3,5-dimethyl-benzoyl)-2,4-pyrimidinedione
CID 15957824
(5S)-3-(furan-2-ylmethyl)-5-[1-(4-methylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42378416
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4804760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate?
The IUPAC name of ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate (CID 9449858) is ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate?
The canonical SMILES for ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate is CCOC(=O)c1ccoc1CN1C(=O)N[C@@]2(CCc3ccccc3C2)C1=O.
What is the InChIKey of ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate?
The InChIKey is AOHKVCLTKBVRJM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-2-26-17(23)15-8-10-27-16(15)12-22-18(24)20(21-19(22)25)9-7-13-5-3-4-6-14(13)11-20/h3-6,8,10H,2,7,9,11-12H2,1H3,(H,21,25)/t20-/m1/s1.
What are the key properties of ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate?
ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3R)-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 9449858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).