1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea

C18H28N2O3 — CID 125448091

About 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea

1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea (PubChem CID 125448091) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea.

Molecular Properties

• Compound Name: 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea
• PubChem CID: 125448091
• Molecular Formula: C18H28N2O3
• Molecular Weight: 320.43 g/mol
• Exact Mass: 320.21
• IUPAC Name: 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea
• SMILES: CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCC1(C(C)C)CC1
• InChI: InChI=1S/C18H28N2O3/c1-4-20(11-16(22)14-6-5-7-15(21)10-14)17(23)19-12-18(8-9-18)13(2)3/h5-7,10,13,16,21-22H,4,8-9,11-12H2,1-3H3,(H,19,23)/t16-/m0/s1
• InChIKey: NNITXJLBXQUMRU-INIZCTEOSA-N
• XLogP: 2.89
• TPSA: 72.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.43
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea?

The IUPAC name of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea (CID 125448091) is 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea.

What is the SMILES notation for 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea?

The canonical SMILES for 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea is CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCC1(C(C)C)CC1.

What is the InChIKey of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea?

The InChIKey is NNITXJLBXQUMRU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-20(11-16(22)14-6-5-7-15(21)10-14)17(23)19-12-18(8-9-18)13(2)3/h5-7,10,13,16,21-22H,4,8-9,11-12H2,1-3H3,(H,19,23)/t16-/m0/s1.

What are the key properties of 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea?

1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea is sourced from PubChem (CID 125448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).