3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea

C13H20N2O4 — CID 122571277

IUPAC3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)N(C)Cc1ccoc1
InChIInChI=1S/C13H20N2O4/c1-3-19-12-9-18-8-11(12)14-13(16)15(2)6-10-4-5-17-7-10/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,14,16)/t11-,12-/m0/s1
InChIKeyLOIVSYIBLOKLKL-RYUDHWBXSA-N
MW268.31 g/mol
LogP1.22
Rot. Bonds5

About 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea

3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea (PubChem CID 122571277) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea
PubChem CID122571277
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea
SMILESCCO[C@H]1COC[C@@H]1NC(=O)N(C)Cc1ccoc1
InChIInChI=1S/C13H20N2O4/c1-3-19-12-9-18-8-11(12)14-13(16)15(2)6-10-4-5-17-7-10/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,14,16)/t11-,12-/m0/s1
InChIKeyLOIVSYIBLOKLKL-RYUDHWBXSA-N
XLogP1.22
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea (CID 122571277) is 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea is CCO[C@H]1COC[C@@H]1NC(=O)N(C)Cc1ccoc1.
What is the InChIKey of 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea?
The InChIKey is LOIVSYIBLOKLKL-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-19-12-9-18-8-11(12)14-13(16)15(2)6-10-4-5-17-7-10/h4-5,7,11-12H,3,6,8-9H2,1-2H3,(H,14,16)/t11-,12-/m0/s1.
What are the key properties of 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea?
3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea has a molecular weight of 268.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-(furan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 122571277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).