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

C17H24N2O3 — CID 154789690

IUPAC1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCC1(NC(=O)NC2CCCc3occc32)CCOC1C1CC1
InChIInChI=1S/C17H24N2O3/c1-17(8-10-22-15(17)11-5-6-11)19-16(20)18-13-3-2-4-14-12(13)7-9-21-14/h7,9,11,13,15H,2-6,8,10H2,1H3,(H2,18,19,20)
InChIKeyPZJKQERYVSEJHZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.91
Rot. Bonds3

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

1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 154789690) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID154789690
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCC1(NC(=O)NC2CCCc3occc32)CCOC1C1CC1
InChIInChI=1S/C17H24N2O3/c1-17(8-10-22-15(17)11-5-6-11)19-16(20)18-13-3-2-4-14-12(13)7-9-21-14/h7,9,11,13,15H,2-6,8,10H2,1H3,(H2,18,19,20)
InChIKeyPZJKQERYVSEJHZ-UHFFFAOYSA-N
XLogP2.91
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 154789690) is 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is CC1(NC(=O)NC2CCCc3occc32)CCOC1C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is PZJKQERYVSEJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(8-10-22-15(17)11-5-6-11)19-16(20)18-13-3-2-4-14-12(13)7-9-21-14/h7,9,11,13,15H,2-6,8,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-3-methyloxolan-3-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 154789690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).