3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea

C18H27FN2O3 — CID 71686961

IUPAC3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCOCCN(CC1(C)CCOCC1)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O3/c1-18(6-9-24-10-7-18)14-21(8-11-23-2)17(22)20-13-15-4-3-5-16(19)12-15/h3-5,12H,6-11,13-14H2,1-2H3,(H,20,22)
InChIKeyOSOWNKWJYYNRKZ-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.80
Rot. Bonds7

About 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea

3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 71686961) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
PubChem CID71686961
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Name3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCOCCN(CC1(C)CCOCC1)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O3/c1-18(6-9-24-10-7-18)14-21(8-11-23-2)17(22)20-13-15-4-3-5-16(19)12-15/h3-5,12H,6-11,13-14H2,1-2H3,(H,20,22)
InChIKeyOSOWNKWJYYNRKZ-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea (CID 71686961) is 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea is COCCN(CC1(C)CCOCC1)C(=O)NCc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is OSOWNKWJYYNRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-18(6-9-24-10-7-18)14-21(8-11-23-2)17(22)20-13-15-4-3-5-16(19)12-15/h3-5,12H,6-11,13-14H2,1-2H3,(H,20,22).
What are the key properties of 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 338.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 71686961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).