1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea

C25H25N3O3 — CID 95081769

About 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea

1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea (PubChem CID 95081769) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea
• PubChem CID: 95081769
• Molecular Formula: C25H25N3O3
• Molecular Weight: 415.49 g/mol
• Exact Mass: 415.19
• IUPAC Name: 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea
• SMILES: COc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2
• InChI: InChI=1S/C25H25N3O3/c1-17-14-20-13-12-18(15-22(20)28(17)24(29)19-8-4-3-5-9-19)16-26-25(30)27-21-10-6-7-11-23(21)31-2/h3-13,15,17H,14,16H2,1-2H3,(H2,26,27,30)/t17-/m0/s1
• InChIKey: ZYUAHCLJMRYQPQ-KRWDZBQOSA-N
• XLogP: 4.61
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.49
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea?

The IUPAC name of 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea (CID 95081769) is 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea.

What is the SMILES notation for 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea?

The canonical SMILES for 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2.

What is the InChIKey of 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea?

The InChIKey is ZYUAHCLJMRYQPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-14-20-13-12-18(15-22(20)28(17)24(29)19-8-4-3-5-9-19)16-26-25(30)27-21-10-6-7-11-23(21)31-2/h3-13,15,17H,14,16H2,1-2H3,(H2,26,27,30)/t17-/m0/s1.

What are the key properties of 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea?

1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 415.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(2S)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 95081769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).