1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea

C17H24N2O3 — CID 110910012

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O3/c1-11(2)8-14(20)10-18-17(21)19-12(3)16-9-13-6-4-5-7-15(13)22-16/h4-7,9,11-12,14,20H,8,10H2,1-3H3,(H2,18,19,21)
InChIKeyLKOFWSNSQOANNR-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.20
Rot. Bonds6

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea

1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea (PubChem CID 110910012) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
PubChem CID110910012
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
SMILESCC(C)CC(O)CNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O3/c1-11(2)8-14(20)10-18-17(21)19-12(3)16-9-13-6-4-5-7-15(13)22-16/h4-7,9,11-12,14,20H,8,10H2,1-3H3,(H2,18,19,21)
InChIKeyLKOFWSNSQOANNR-UHFFFAOYSA-N
XLogP3.20
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493943
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115574812
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111841214
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-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea (CID 110910012) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea is CC(C)CC(O)CNC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
The InChIKey is LKOFWSNSQOANNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)8-14(20)10-18-17(21)19-12(3)16-9-13-6-4-5-7-15(13)22-16/h4-7,9,11-12,14,20H,8,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea has a molecular weight of 304.39 g/mol, XLogP of 3.20, 6 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-(2-hydroxy-4-methylpentyl)urea is sourced from PubChem (CID 110910012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).