1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea

C21H33N3O3 — CID 94054493

About 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea

1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea (PubChem CID 94054493) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
• PubChem CID: 94054493
• Molecular Formula: C21H33N3O3
• Molecular Weight: 375.51 g/mol
• Exact Mass: 375.25
• IUPAC Name: 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
• SMILES: CCN(Cc1cccc(C)c1)C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1
• InChI: InChI=1S/C21H33N3O3/c1-3-23(15-18-6-4-5-17(2)13-18)21(25)22-14-20(19-7-10-27-16-19)24-8-11-26-12-9-24/h4-6,13,19-20H,3,7-12,14-16H2,1-2H3,(H,22,25)/t19-,20-/m0/s1
• InChIKey: GTOORQPEZJBSBW-PMACEKPBSA-N
• XLogP: 2.26
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.51
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea (CID 94054493) is 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea.

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

The canonical SMILES for 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea is CCN(Cc1cccc(C)c1)C(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1.

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

The InChIKey is GTOORQPEZJBSBW-PMACEKPBSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-3-23(15-18-6-4-5-17(2)13-18)21(25)22-14-20(19-7-10-27-16-19)24-8-11-26-12-9-24/h4-6,13,19-20H,3,7-12,14-16H2,1-2H3,(H,22,25)/t19-,20-/m0/s1.

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

1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea has a molecular weight of 375.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 94054493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).