1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

C19H31N3O3 — CID 60547093

About 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea

1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (PubChem CID 60547093) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
• PubChem CID: 60547093
• Molecular Formula: C19H31N3O3
• Molecular Weight: 349.48 g/mol
• Exact Mass: 349.24
• IUPAC Name: 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
• SMILES: Cc1ccccc1OCCNC(=O)NCC1CN(CC(C)C)CCO1
• InChI: InChI=1S/C19H31N3O3/c1-15(2)13-22-9-11-24-17(14-22)12-21-19(23)20-8-10-25-18-7-5-4-6-16(18)3/h4-7,15,17H,8-14H2,1-3H3,(H2,20,21,23)
• InChIKey: QLIJDAXCPWVYEN-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.48
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?

The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea (CID 60547093) is 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea.

What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?

The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is Cc1ccccc1OCCNC(=O)NCC1CN(CC(C)C)CCO1.

What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?

The InChIKey is QLIJDAXCPWVYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(2)13-22-9-11-24-17(14-22)12-21-19(23)20-8-10-25-18-7-5-4-6-16(18)3/h4-7,15,17H,8-14H2,1-3H3,(H2,20,21,23).

What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea?

1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea has a molecular weight of 349.48 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methylphenoxy)ethyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea is sourced from PubChem (CID 60547093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).