3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea

C19H20N2O3 — CID 110896623

IUPAC3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
SMILESO=C(NCc1cc2ccccc2o1)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-11-10-21(14-15-6-2-1-3-7-15)19(23)20-13-17-12-16-8-4-5-9-18(16)24-17/h1-9,12,22H,10-11,13-14H2,(H,20,23)
InChIKeyIWBKMLLGUVAWRB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.14
Rot. Bonds6

About 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea

3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea (PubChem CID 110896623) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
PubChem CID110896623
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea
SMILESO=C(NCc1cc2ccccc2o1)N(CCO)Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-11-10-21(14-15-6-2-1-3-7-15)19(23)20-13-17-12-16-8-4-5-9-18(16)24-17/h1-9,12,22H,10-11,13-14H2,(H,20,23)
InChIKeyIWBKMLLGUVAWRB-UHFFFAOYSA-N
XLogP3.14
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-benzyl-1-(2-hydroxyethyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111507733
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1-benzyl-3-[2-(3-bromophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 108901690
1-benzyl-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-hydroxyethyl)urea
CID 111619386
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 42796265
3-[3-[(1-benzofuran-2-ylmethylamino)methyl]phenyl]propanoic acid
CID 18376227

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea (CID 110896623) is 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea is O=C(NCc1cc2ccccc2o1)N(CCO)Cc1ccccc1.
What is the InChIKey of 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea?
The InChIKey is IWBKMLLGUVAWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-11-10-21(14-15-6-2-1-3-7-15)19(23)20-13-17-12-16-8-4-5-9-18(16)24-17/h1-9,12,22H,10-11,13-14H2,(H,20,23).
What are the key properties of 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea?
3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea has a molecular weight of 324.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110896623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).