1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

C16H24N2O3 — CID 71933200

IUPAC1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCCN(CC1CCCO1)C(=O)NC1CCCc2occc21
InChIInChI=1S/C16H24N2O3/c1-2-18(11-12-5-4-9-20-12)16(19)17-14-6-3-7-15-13(14)8-10-21-15/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,19)
InChIKeyCTOJVKQFNZQSRB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.87
Rot. Bonds4

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

1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (PubChem CID 71933200) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
PubChem CID71933200
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
SMILESCCN(CC1CCCO1)C(=O)NC1CCCc2occc21
InChIInChI=1S/C16H24N2O3/c1-2-18(11-12-5-4-9-20-12)16(19)17-14-6-3-7-15-13(14)8-10-21-15/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,19)
InChIKeyCTOJVKQFNZQSRB-UHFFFAOYSA-N
XLogP2.87
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The IUPAC name of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea (CID 71933200) is 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea.
What is the SMILES notation for 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The canonical SMILES for 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is CCN(CC1CCCO1)C(=O)NC1CCCc2occc21.
What is the InChIKey of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
The InChIKey is CTOJVKQFNZQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-18(11-12-5-4-9-20-12)16(19)17-14-6-3-7-15-13(14)8-10-21-15/h8,10,12,14H,2-7,9,11H2,1H3,(H,17,19).
What are the key properties of 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea?
1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxolan-2-ylmethyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea is sourced from PubChem (CID 71933200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).