1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

C20H22N2O3 — CID 113199636

IUPAC1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESO=C(NCCCc1ccccc1)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C20H22N2O3/c23-20(21-10-4-7-14-5-2-1-3-6-14)22-18-16-9-12-24-17(16)13-15-8-11-25-19(15)18/h1-3,5-6,13H,4,7-12H2,(H2,21,22,23)
InChIKeyDRCKAPWMZLEROJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea

1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (PubChem CID 113199636) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
PubChem CID113199636
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
SMILESO=C(NCCCc1ccccc1)Nc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C20H22N2O3/c23-20(21-10-4-7-14-5-2-1-3-6-14)22-18-16-9-12-24-17(16)13-15-8-11-25-19(15)18/h1-3,5-6,13H,4,7-12H2,(H2,21,22,23)
InChIKeyDRCKAPWMZLEROJ-UHFFFAOYSA-N
XLogP3.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.31
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-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199612
1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199605
1-(4-chlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217652
N-phenyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200012
N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopropanecarboxamide
CID 113095385
methyl 3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylcarbamoylamino)benzoate
CID 113199710
N-methyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzamide
CID 113096026
1-(2,5-dimethylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217632
1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217653
4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
CID 113199632
1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217694
3,4-dichloro-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)benzamide
CID 113095408

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The IUPAC name of 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea (CID 113199636) is 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea.
What is the SMILES notation for 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The canonical SMILES for 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is O=C(NCCCc1ccccc1)Nc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
The InChIKey is DRCKAPWMZLEROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(21-10-4-7-14-5-2-1-3-6-14)22-18-16-9-12-24-17(16)13-15-8-11-25-19(15)18/h1-3,5-6,13H,4,7-12H2,(H2,21,22,23).
What are the key properties of 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea?
1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea has a molecular weight of 338.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea is sourced from PubChem (CID 113199636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).