1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea

C16H22N2O2 — CID 110750914

IUPAC1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc21)NC1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-13-6-2-1-3-7-13)17-10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H2,17,18,19)
InChIKeyIUTBEEREHUYWBG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.79
Rot. Bonds3

About 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea

1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea (PubChem CID 110750914) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
PubChem CID110750914
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
SMILESO=C(NCC1COc2ccccc21)NC1CCCCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-13-6-2-1-3-7-13)17-10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H2,17,18,19)
InChIKeyIUTBEEREHUYWBG-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea
CID 5057406
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
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-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 154837816
1-(3-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750917
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-3-amine
CID 79226755
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
CID 110751057

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea (CID 110750914) is 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea is O=C(NCC1COc2ccccc21)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
The InChIKey is IUTBEEREHUYWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-13-6-2-1-3-7-13)17-10-12-11-20-15-9-5-4-8-14(12)15/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea?
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea has a molecular weight of 274.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea is sourced from PubChem (CID 110750914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).