1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C18H22N2O3 — CID 166532068

IUPAC1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCc1c(C(C)NC(=O)NC2CC3CCC2O3)oc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-10-13-5-3-4-6-15(13)23-17(10)11(2)19-18(21)20-14-9-12-7-8-16(14)22-12/h3-6,11-12,14,16H,7-9H2,1-2H3,(H2,19,20,21)
InChIKeyUFLRYGCZAZFFGG-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.42
Rot. Bonds3

About 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 166532068) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID166532068
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESCc1c(C(C)NC(=O)NC2CC3CCC2O3)oc2ccccc12
InChIInChI=1S/C18H22N2O3/c1-10-13-5-3-4-6-15(13)23-17(10)11(2)19-18(21)20-14-9-12-7-8-16(14)22-12/h3-6,11-12,14,16H,7-9H2,1-2H3,(H2,19,20,21)
InChIKeyUFLRYGCZAZFFGG-UHFFFAOYSA-N
XLogP3.42
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea with MolForge

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Related Compounds

1-(4-methoxyoxolan-3-yl)-3-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532863
1-(3-methoxycyclobutyl)-3-[1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532954
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyloxan-4-yl)urea
CID 166533084
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 166532520
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532648
N-methyl-4-[1-(3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 166532094
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(4-methylsulfonylcyclohexyl)urea
CID 166532576
1-(1-ethylpiperidin-4-yl)-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532114
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 166532014
1-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(3-methyloxetan-3-yl)urea
CID 166532779
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
2-[[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120701736

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 166532068) is 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is Cc1c(C(C)NC(=O)NC2CC3CCC2O3)oc2ccccc12.
What is the InChIKey of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is UFLRYGCZAZFFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-10-13-5-3-4-6-15(13)23-17(10)11(2)19-18(21)20-14-9-12-7-8-16(14)22-12/h3-6,11-12,14,16H,7-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 314.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 166532068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).