(5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione

C25H32N4O6 — CID 125430062

IUPAC(5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)C2=O)cc1OC
InChIInChI=1S/C25H32N4O6/c1-34-20-7-6-15(9-21(20)35-2)12-29-24(32)18(26-25(29)33)10-23(31)27-11-16-8-17(14-27)19-4-3-5-22(30)28(19)13-16/h6-7,9,16-19H,3-5,8,10-14H2,1-2H3,(H,26,33)/t16-,17+,18+,19+/m1/s1
InChIKeyYJHMXYBODMKTKR-XWSJACJDSA-N
MW484.55 g/mol
LogP1.37
Rot. Bonds6

About (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione

(5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 125430062) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione
PubChem CID125430062
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name(5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)C2=O)cc1OC
InChIInChI=1S/C25H32N4O6/c1-34-20-7-6-15(9-21(20)35-2)12-29-24(32)18(26-25(29)33)10-23(31)27-11-16-8-17(14-27)19-4-3-5-22(30)28(19)13-16/h6-7,9,16-19H,3-5,8,10-14H2,1-2H3,(H,26,33)/t16-,17+,18+,19+/m1/s1
InChIKeyYJHMXYBODMKTKR-XWSJACJDSA-N
XLogP1.37
TPSA108.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione (CID 125430062) is (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione is COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3C[C@H]4C[C@@H](C3)[C@@H]3CCCC(=O)N3C4)C2=O)cc1OC.
What is the InChIKey of (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is YJHMXYBODMKTKR-XWSJACJDSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-34-20-7-6-15(9-21(20)35-2)12-29-24(32)18(26-25(29)33)10-23(31)27-11-16-8-17(14-27)19-4-3-5-22(30)28(19)13-16/h6-7,9,16-19H,3-5,8,10-14H2,1-2H3,(H,26,33)/t16-,17+,18+,19+/m1/s1.
What are the key properties of (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione?
(5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 484.55 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(3,4-dimethoxyphenyl)methyl]-5-[2-oxo-2-[(1S,2S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 125430062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).