3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione

About 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione

3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione (PubChem CID 163088392) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione
PubChem CID	163088392
Molecular Formula	C26H30N4O5
Molecular Weight	478.55 g/mol
Exact Mass	478.22
IUPAC Name	3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione
SMILES	COc1ccccc1CCN1C(=O)NC(CCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)C1=O
InChI	InChI=1S/C26H30N4O5/c1-35-22-7-3-2-5-18(22)11-12-29-25(33)20(27-26(29)34)9-10-23(31)28-14-17-13-19(16-28)21-6-4-8-24(32)30(21)15-17/h2-8,17,19-20H,9-16H2,1H3,(H,27,34)
InChIKey	UASYAUMGHXCCKC-UHFFFAOYSA-N
XLogP	1.75
TPSA	100.95 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione (CID 163088392) is 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione is COc1ccccc1CCN1C(=O)NC(CCC(=O)N2CC3CC(C2)c2cccc(=O)n2C3)C1=O.

What is the InChIKey of 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione?

The InChIKey is UASYAUMGHXCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-35-22-7-3-2-5-18(22)11-12-29-25(33)20(27-26(29)34)9-10-23(31)28-14-17-13-19(16-28)21-6-4-8-24(32)30(21)15-17/h2-8,17,19-20H,9-16H2,1H3,(H,27,34).

What are the key properties of 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione?

3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 478.55 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-methoxyphenyl)ethyl]-5-[3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 163088392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).