3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea

C19H20N2O4 — CID 14152802

IUPAC3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
SMILESCCc1coc2ccc(Oc3ccc(NC(=O)N(C)OC)cc3)cc12
InChIInChI=1S/C19H20N2O4/c1-4-13-12-24-18-10-9-16(11-17(13)18)25-15-7-5-14(6-8-15)20-19(22)21(2)23-3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyJULMMFMXKYDPMY-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.81
Rot. Bonds5

About 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea

3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea (PubChem CID 14152802) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea.

Molecular Properties

Compound Name3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
PubChem CID14152802
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea
SMILESCCc1coc2ccc(Oc3ccc(NC(=O)N(C)OC)cc3)cc12
InChIInChI=1S/C19H20N2O4/c1-4-13-12-24-18-10-9-16(11-17(13)18)25-15-7-5-14(6-8-15)20-19(22)21(2)23-3/h5-12H,4H2,1-3H3,(H,20,22)
InChIKeyJULMMFMXKYDPMY-UHFFFAOYSA-N
XLogP4.81
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
CID 14152806
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
1-methoxy-1-methyl-3-(3-phenoxyphenyl)urea
CID 13424071
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246
1-methoxy-3-[4-[(2-methoxy-2,3-dimethyl-3,4-dihydrochromen-7-yl)oxy]phenyl]-1-methylurea
CID 14152738
N-methyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81048996
N-ethyl-2-(5-phenoxy-1-benzofuran-3-yl)ethanamine
CID 81041074
N-(2-hydroxyethyl)-2-(5-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 110488782
1-methoxy-1-methyl-3-[4-[(3-methylphenyl)methoxy]phenyl]urea
CID 12893509
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 110488794
3-[4-[(4-bromophenyl)methoxy]phenyl]-1-methoxy-1-methylurea
CID 12893499
tris(3-(4-chlorophenyl)-1,1-dimethylurea);bis(3-(4-chlorophenyl)-1-methoxy-1-methylurea)
CID 173361300

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea?
The IUPAC name of 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea (CID 14152802) is 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea.
What is the SMILES notation for 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea?
The canonical SMILES for 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea is CCc1coc2ccc(Oc3ccc(NC(=O)N(C)OC)cc3)cc12.
What is the InChIKey of 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea?
The InChIKey is JULMMFMXKYDPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-13-12-24-18-10-9-16(11-17(13)18)25-15-7-5-14(6-8-15)20-19(22)21(2)23-3/h5-12H,4H2,1-3H3,(H,20,22).
What are the key properties of 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea?
3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea has a molecular weight of 340.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-ethyl-1-benzofuran-5-yl)oxy]phenyl]-1-methoxy-1-methylurea is sourced from PubChem (CID 14152802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).