1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea

C15H20N2O3 — CID 129487326

IUPAC1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
SMILESO=C(NC[C@@H]1COc2ccccc21)NC1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-12-5-7-19-8-6-12)16-9-11-10-20-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,16,17,18)/t11-/m1/s1
InChIKeyMHORXBYSPQVTCB-LLVKDONJSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds3

About 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea

1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea (PubChem CID 129487326) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
PubChem CID129487326
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
SMILESO=C(NC[C@@H]1COc2ccccc21)NC1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-12-5-7-19-8-6-12)16-9-11-10-20-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,16,17,18)/t11-/m1/s1
InChIKeyMHORXBYSPQVTCB-LLVKDONJSA-N
XLogP1.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
1-[(4-chlorophenyl)methyl]-3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]urea
CID 129350678
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750917
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
CID 79226755
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 5057406
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 154837816

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea (CID 129487326) is 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea is O=C(NC[C@@H]1COc2ccccc21)NC1CCOCC1.
What is the InChIKey of 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea?
The InChIKey is MHORXBYSPQVTCB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(17-12-5-7-19-8-6-12)16-9-11-10-20-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,16,17,18)/t11-/m1/s1.
What are the key properties of 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea?
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea has a molecular weight of 276.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 129487326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).