1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea

C16H24N2O3 — CID 86870911

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea
SMILESCOCCCCCNC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H24N2O3/c1-20-10-6-2-5-9-17-16(19)18-12-14-11-13-7-3-4-8-15(13)21-14/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyZEJFMWPUQPVDHO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.11
Rot. Bonds8

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea (PubChem CID 86870911) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea
PubChem CID86870911
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea
SMILESCOCCCCCNC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C16H24N2O3/c1-20-10-6-2-5-9-17-16(19)18-12-14-11-13-7-3-4-8-15(13)21-14/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H2,17,18,19)
InChIKeyZEJFMWPUQPVDHO-UHFFFAOYSA-N
XLogP2.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-(2-methoxyethoxy)phenyl]urea
CID 86841892
(2S)-4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839616
4-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107839615
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405444
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 51078485
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110940538
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 94181052
methyl 5-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]pentanoate;hydroiodide
CID 111950174
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
ethyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-oxoacetate
CID 62234991
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111653117
1-[3-(benzimidazol-1-yl)propyl]-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 55740162

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea (CID 86870911) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea is COCCCCCNC(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea?
The InChIKey is ZEJFMWPUQPVDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-10-6-2-5-9-17-16(19)18-12-14-11-13-7-3-4-8-15(13)21-14/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(5-methoxypentyl)urea is sourced from PubChem (CID 86870911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).