1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea

C29H36N4O3 — CID 3708763

About 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea

1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea (PubChem CID 3708763) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
• PubChem CID: 3708763
• Molecular Formula: C29H36N4O3
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.28
• IUPAC Name: 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
• SMILES: COCCN(CC(=O)N1CCn2cccc2C1c1ccc(C(C)C)cc1)C(=O)Nc1cccc(C)c1
• InChI: InChI=1S/C29H36N4O3/c1-21(2)23-10-12-24(13-11-23)28-26-9-6-14-31(26)15-16-33(28)27(34)20-32(17-18-36-4)29(35)30-25-8-5-7-22(3)19-25/h5-14,19,21,28H,15-18,20H2,1-4H3,(H,30,35)
• InChIKey: ADGKDJYKTBDZQO-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea?

The IUPAC name of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea (CID 3708763) is 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea.

What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea?

The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea is COCCN(CC(=O)N1CCn2cccc2C1c1ccc(C(C)C)cc1)C(=O)Nc1cccc(C)c1.

What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea?

The InChIKey is ADGKDJYKTBDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-21(2)23-10-12-24(13-11-23)28-26-9-6-14-31(26)15-16-33(28)27(34)20-32(17-18-36-4)29(35)30-25-8-5-7-22(3)19-25/h5-14,19,21,28H,15-18,20H2,1-4H3,(H,30,35).

What are the key properties of 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea?

1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea has a molecular weight of 488.63 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea is sourced from PubChem (CID 3708763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).