1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C17H22N2O3 — CID 111103936

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c1-12(15-10-13-6-2-3-7-14(13)22-15)19-16(20)18-11-17(21)8-4-5-9-17/h2-3,6-7,10,12,21H,4-5,8-9,11H2,1H3,(H2,18,19,20)
InChIKeyVGRRWCWCXDFKNJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.10
Rot. Bonds4

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103936) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103936
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCC(NC(=O)NCC1(O)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c1-12(15-10-13-6-2-3-7-14(13)22-15)19-16(20)18-11-17(21)8-4-5-9-17/h2-3,6-7,10,12,21H,4-5,8-9,11H2,1H3,(H2,18,19,20)
InChIKeyVGRRWCWCXDFKNJ-UHFFFAOYSA-N
XLogP3.10
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 119133298
1-[1-(1-benzofuran-2-yl)ethyl]-3-ethyl-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111378118
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94021412
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 41182500
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 41406085

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103936) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CC(NC(=O)NCC1(O)CCCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is VGRRWCWCXDFKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(15-10-13-6-2-3-7-14(13)22-15)19-16(20)18-11-17(21)8-4-5-9-17/h2-3,6-7,10,12,21H,4-5,8-9,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 302.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).