1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C17H20N2O3 — CID 86927702

IUPAC1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(NCCOc1ccccc1)NC1CCCc2occc21
InChIInChI=1S/C17H20N2O3/c20-17(18-10-12-21-13-5-2-1-3-6-13)19-15-7-4-8-16-14(15)9-11-22-16/h1-3,5-6,9,11,15H,4,7-8,10,12H2,(H2,18,19,20)
InChIKeyQZBGCWUJBBEJRA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 86927702) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID86927702
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESO=C(NCCOc1ccccc1)NC1CCCc2occc21
InChIInChI=1S/C17H20N2O3/c20-17(18-10-12-21-13-5-2-1-3-6-13)19-15-7-4-8-16-14(15)9-11-22-16/h1-3,5-6,9,11,15H,4,7-8,10,12H2,(H2,18,19,20)
InChIKeyQZBGCWUJBBEJRA-UHFFFAOYSA-N
XLogP3.04
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.04
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-(2,6-dimethylphenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78882784
N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466439
1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78857793
1-[(1,1-dioxothian-4-yl)methyl]-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 97244213
(4R)-N-(2-pyridin-3-yloxyethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 99778869
2-(4-iodophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 78849389
1-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 99835825
3-(2-chlorophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 86930369
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 95308044
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
4-(2-bromophenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 78879460

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 86927702) is 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is O=C(NCCOc1ccccc1)NC1CCCc2occc21.
What is the InChIKey of 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is QZBGCWUJBBEJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-17(18-10-12-21-13-5-2-1-3-6-13)19-15-7-4-8-16-14(15)9-11-22-16/h1-3,5-6,9,11,15H,4,7-8,10,12H2,(H2,18,19,20).
What are the key properties of 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 300.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 86927702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).