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

C17H20N2O2 — CID 78891853

IUPAC1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCCc1ccc(NC(=O)NC2CCCc3occc32)cc1
InChIInChI=1S/C17H20N2O2/c1-2-12-6-8-13(9-7-12)18-17(20)19-15-4-3-5-16-14(15)10-11-21-16/h6-11,15H,2-5H2,1H3,(H2,18,19,20)
InChIKeyGBTSZVPLVSZFRU-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.04
Rot. Bonds3

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

1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 78891853) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID78891853
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCCc1ccc(NC(=O)NC2CCCc3occc32)cc1
InChIInChI=1S/C17H20N2O2/c1-2-12-6-8-13(9-7-12)18-17(20)19-15-4-3-5-16-14(15)10-11-21-16/h6-11,15H,2-5H2,1H3,(H2,18,19,20)
InChIKeyGBTSZVPLVSZFRU-UHFFFAOYSA-N
XLogP4.04
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]urea
CID 941313
2-(4-ethylphenoxy)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 86923843
1-(4-chloro-3-fluorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890822
1-(3-chlorophenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891837
1-(4-iodo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891844
5-bromo-N-[4-(4,5,6,7-tetrahydro-1-benzofuran-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 112841023
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78857793
1-(5-bromo-2-methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78890613
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891560
1-(2-hydroxycyclohexyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 110933290
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
1-[(4-chlorophenyl)methyl]-1-methyl-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 86927691

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 78891853) is 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is CCc1ccc(NC(=O)NC2CCCc3occc32)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is GBTSZVPLVSZFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-6-8-13(9-7-12)18-17(20)19-15-4-3-5-16-14(15)10-11-21-16/h6-11,15H,2-5H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 284.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 78891853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).