1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea

C20H24N2O3 — CID 75471964

IUPAC1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C20H24N2O3/c1-20(2,24)14-22(13-15-6-4-3-5-7-15)19(23)21-17-8-9-18-16(12-17)10-11-25-18/h3-9,12,24H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyIKAUCPMKYAQAPK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.43
Rot. Bonds5

About 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea

1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 75471964) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID75471964
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea
SMILESCC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C20H24N2O3/c1-20(2,24)14-22(13-15-6-4-3-5-7-15)19(23)21-17-8-9-18-16(12-17)10-11-25-18/h3-9,12,24H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyIKAUCPMKYAQAPK-UHFFFAOYSA-N
XLogP3.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(3-cyanophenyl)-1-(2-hydroxy-2-methylpropyl)urea
CID 75444536
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-2-methylpropyl)-1-propan-2-ylurea
CID 71850565
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62879061
1-benzyl-1-(2-hydroxyethyl)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 110907686
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 84598478
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
N-(2,3-dihydro-1-benzofuran-5-yl)naphthalene-1-carboxamide
CID 38558744

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea (CID 75471964) is 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea is CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is IKAUCPMKYAQAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,24)14-22(13-15-6-4-3-5-7-15)19(23)21-17-8-9-18-16(12-17)10-11-25-18/h3-9,12,24H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea?
1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 340.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 75471964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).