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

C17H24N2O3 — CID 111337854

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O3/c1-4-11(2)14(20)10-18-17(21)19-12(3)16-9-13-7-5-6-8-15(13)22-16/h5-9,11-12,14,20H,4,10H2,1-3H3,(H2,18,19,21)
InChIKeyBKNFZKORBPXVMP-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.20
Rot. Bonds6

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

1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea (PubChem CID 111337854) 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-3-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
PubChem CID111337854
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O3/c1-4-11(2)14(20)10-18-17(21)19-12(3)16-9-13-7-5-6-8-15(13)22-16/h5-9,11-12,14,20H,4,10H2,1-3H3,(H2,18,19,21)
InChIKeyBKNFZKORBPXVMP-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-4-methylpentyl)urea
CID 110910012
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493943
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 42934544
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 41406085
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337805
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 94021412

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea (CID 111337854) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea is CCC(C)C(O)CNC(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The InChIKey is BKNFZKORBPXVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-11(2)14(20)10-18-17(21)19-12(3)16-9-13-7-5-6-8-15(13)22-16/h5-9,11-12,14,20H,4,10H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-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-3-methylpentyl)urea is sourced from PubChem (CID 111337854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).