1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea

C22H24N2O3 — CID 166213239

IUPAC1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(OC2CCCC2)c1)NCc1ccc2ccoc2c1
InChIInChI=1S/C22H24N2O3/c25-22(24-15-17-8-9-18-10-11-26-21(18)13-17)23-14-16-4-3-7-20(12-16)27-19-5-1-2-6-19/h3-4,7-13,19H,1-2,5-6,14-15H2,(H2,23,24,25)
InChIKeyWSLJYWJNEDVKIL-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.75
Rot. Bonds6

About 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea

1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea (PubChem CID 166213239) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
PubChem CID166213239
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
SMILESO=C(NCc1cccc(OC2CCCC2)c1)NCc1ccc2ccoc2c1
InChIInChI=1S/C22H24N2O3/c25-22(24-15-17-8-9-18-10-11-26-21(18)13-17)23-14-16-4-3-7-20(12-16)27-19-5-1-2-6-19/h3-4,7-13,19H,1-2,5-6,14-15H2,(H2,23,24,25)
InChIKeyWSLJYWJNEDVKIL-UHFFFAOYSA-N
XLogP4.75
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
CID 86943146
N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 86941870
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
CID 120510137
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea?
The IUPAC name of 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea (CID 166213239) is 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea.
What is the SMILES notation for 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea?
The canonical SMILES for 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea is O=C(NCc1cccc(OC2CCCC2)c1)NCc1ccc2ccoc2c1.
What is the InChIKey of 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea?
The InChIKey is WSLJYWJNEDVKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(24-15-17-8-9-18-10-11-26-21(18)13-17)23-14-16-4-3-7-20(12-16)27-19-5-1-2-6-19/h3-4,7-13,19H,1-2,5-6,14-15H2,(H2,23,24,25).
What are the key properties of 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea?
1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea has a molecular weight of 364.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea is sourced from PubChem (CID 166213239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).