(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione

C20H24N2O7 — CID 11025842

IUPAC(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione
SMILESCC1(C)OC[C@H]([C@H]2O[C@@]3(NC(=O)N(c4ccccc4)C3=O)[C@H]3OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C20H24N2O7/c1-18(2)25-10-12(26-18)13-14-15(29-19(3,4)27-14)20(28-13)16(23)22(17(24)21-20)11-8-6-5-7-9-11/h5-9,12-15H,10H2,1-4H3,(H,21,24)/t12-,13-,14+,15+,20+/m1/s1
InChIKeyGNEULVBOKNUQKS-KNHNZMBKSA-N
MW404.42 g/mol
LogP1.51
Rot. Bonds2

About (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione

(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione (PubChem CID 11025842) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione
PubChem CID11025842
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC Name(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione
SMILESCC1(C)OC[C@H]([C@H]2O[C@@]3(NC(=O)N(c4ccccc4)C3=O)[C@H]3OC(C)(C)O[C@@H]23)O1
InChIInChI=1S/C20H24N2O7/c1-18(2)25-10-12(26-18)13-14-15(29-19(3,4)27-14)20(28-13)16(23)22(17(24)21-20)11-8-6-5-7-9-11/h5-9,12-15H,10H2,1-4H3,(H,21,24)/t12-,13-,14+,15+,20+/m1/s1
InChIKeyGNEULVBOKNUQKS-KNHNZMBKSA-N
XLogP1.51
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione with MolForge

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Related Compounds

5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenyl-2'-sulfanylidenespiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,5'-imidazolidine]-4'-one
CID 134860223
(3'aS,6S,6'R,6'aS)-6'-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2',2',5,5-tetramethyl-3-phenylspiro[1,3-diazinane-6,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-2,4-dione
CID 135018661
methyl (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(phenylcarbamoylamino)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate
CID 10939025
(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2-oxo-N-phenyl-3,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-3a-carboxamide
CID 11003003
(5S,7R,8R,9S)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 11099368
(5R,7R,8R,9R)-7-[(1R)-1,2-dihydroxyethyl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 11110121
(5R,7S,8R,9R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8,9-dihydroxy-3-phenyl-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 11810614
methyl 2-[(3aR,4R,6S,6aR)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(phenylcarbamoylamino)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]acetate
CID 44520125
(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenyl-2'-sulfanylidenespiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,5'-imidazolidine]-4'-one
CID 102263876

Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione (CID 11025842) is (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione is CC1(C)OC[C@H]([C@H]2O[C@@]3(NC(=O)N(c4ccccc4)C3=O)[C@H]3OC(C)(C)O[C@@H]23)O1.
What is the InChIKey of (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is GNEULVBOKNUQKS-KNHNZMBKSA-N. The full InChI is InChI=1S/C20H24N2O7/c1-18(2)25-10-12(26-18)13-14-15(29-19(3,4)27-14)20(28-13)16(23)22(17(24)21-20)11-8-6-5-7-9-11/h5-9,12-15H,10H2,1-4H3,(H,21,24)/t12-,13-,14+,15+,20+/m1/s1.
What are the key properties of (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione?
(3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 404.42 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3'-phenylspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 11025842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).