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

C30H38N4O3 — CID 3492496

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

3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea (PubChem CID 3492496) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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: 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
• PubChem CID: 3492496
• Molecular Formula: C30H38N4O3
• Molecular Weight: 502.66 g/mol
• Exact Mass: 502.29
• IUPAC Name: 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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)c1C
• InChI: InChI=1S/C30H38N4O3/c1-21(2)24-11-13-25(14-12-24)29-27-10-7-15-32(27)16-17-34(29)28(35)20-33(18-19-37-5)30(36)31-26-9-6-8-22(3)23(26)4/h6-15,21,29H,16-20H2,1-5H3,(H,31,36)
• InChIKey: OHCCFJNTUKNDFK-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.66
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-1-[2-oxo-2-[1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea (CID 3492496) is 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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)c1C.

What is the InChIKey of 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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 OHCCFJNTUKNDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3/c1-21(2)24-11-13-25(14-12-24)29-27-10-7-15-32(27)16-17-34(29)28(35)20-33(18-19-37-5)30(36)31-26-9-6-8-22(3)23(26)4/h6-15,21,29H,16-20H2,1-5H3,(H,31,36).

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

3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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 502.66 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dimethylphenyl)-1-(2-methoxyethyl)-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 3492496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).