1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea

C18H22N2O4 — CID 51939771

About 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea

1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea (PubChem CID 51939771) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea
• PubChem CID: 51939771
• Molecular Formula: C18H22N2O4
• Molecular Weight: 330.38 g/mol
• Exact Mass: 330.16
• IUPAC Name: 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea
• SMILES: C[C@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C18H22N2O4/c1-12(10-15-4-3-7-22-15)19-18(21)20-13(2)14-5-6-16-17(11-14)24-9-8-23-16/h3-7,11-13H,8-10H2,1-2H3,(H2,19,20,21)/t12-,13+/m1/s1
• InChIKey: ARSWXXIZMXATKU-OLZOCXBDSA-N
• XLogP: 3.04
• TPSA: 72.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.38
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea?

The IUPAC name of 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea (CID 51939771) is 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea.

What is the SMILES notation for 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea?

The canonical SMILES for 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea is C[C@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2.

What is the InChIKey of 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea?

The InChIKey is ARSWXXIZMXATKU-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(10-15-4-3-7-22-15)19-18(21)20-13(2)14-5-6-16-17(11-14)24-9-8-23-16/h3-7,11-13H,8-10H2,1-2H3,(H2,19,20,21)/t12-,13+/m1/s1.

What are the key properties of 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea?

1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea has a molecular weight of 330.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2R)-1-(furan-2-yl)propan-2-yl]urea is sourced from PubChem (CID 51939771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).