1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea

C22H26N2O4 — CID 55911955

About 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea

1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 55911955) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
• PubChem CID: 55911955
• Molecular Formula: C22H26N2O4
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.19
• IUPAC Name: 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea
• SMILES: COc1ccccc1CCNC(=O)NC(c1ccc2c(c1)OCCO2)C1CC1
• InChI: InChI=1S/C22H26N2O4/c1-26-18-5-3-2-4-15(18)10-11-23-22(25)24-21(16-6-7-16)17-8-9-19-20(14-17)28-13-12-27-19/h2-5,8-9,14,16,21H,6-7,10-13H2,1H3,(H2,23,24,25)
• InChIKey: JMELRJGTCDPIGE-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 68.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?

The IUPAC name of 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 55911955) is 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

What is the SMILES notation for 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?

The canonical SMILES for 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)NC(c1ccc2c(c1)OCCO2)C1CC1.

What is the InChIKey of 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?

The InChIKey is JMELRJGTCDPIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-18-5-3-2-4-15(18)10-11-23-22(25)24-21(16-6-7-16)17-8-9-19-20(14-17)28-13-12-27-19/h2-5,8-9,14,16,21H,6-7,10-13H2,1H3,(H2,23,24,25).

What are the key properties of 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea?

1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 382.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 55911955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).