1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

C15H20N2O3 — CID 75377076

IUPAC1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)NCc1coc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-10(2)13(8-18)17-15(19)16-7-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,18H,7-8H2,1-2H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyDZTSJTZRCZWTLU-CYBMUJFWSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds5

About 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (PubChem CID 75377076) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
PubChem CID75377076
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
SMILESCC(C)[C@@H](CO)NC(=O)NCc1coc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-10(2)13(8-18)17-15(19)16-7-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,18H,7-8H2,1-2H3,(H2,16,17,19)/t13-/m1/s1
InChIKeyDZTSJTZRCZWTLU-CYBMUJFWSA-N
XLogP2.25
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(1-hydroxy-3-methylbutan-2-yl)urea
CID 74321598
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
2-(1-benzofuran-3-ylmethylcarbamoylamino)-N-(2,3-dioxopiperidin-4-yl)-3-methylbutanamide
CID 138730517
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
2-[(1-benzofuran-3-ylmethylamino)methyl]-3-methylbutanoic acid
CID 115250348
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
N-(1-benzofuran-3-ylmethyl)-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183042
3-[1-benzofuran-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122002286

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea (CID 75377076) is 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is CC(C)[C@@H](CO)NC(=O)NCc1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
The InChIKey is DZTSJTZRCZWTLU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)13(8-18)17-15(19)16-7-11-9-20-14-6-4-3-5-12(11)14/h3-6,9-10,13,18H,7-8H2,1-2H3,(H2,16,17,19)/t13-/m1/s1.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea?
1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea is sourced from PubChem (CID 75377076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).