1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea

C12H16N2O2 — CID 110874645

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cccc2c1OCC2
InChIInChI=1S/C12H16N2O2/c1-2-7-13-12(15)14-10-5-3-4-9-6-8-16-11(9)10/h3-5H,2,6-8H2,1H3,(H2,13,14,15)
InChIKeyFZSBCCBJEWYJMG-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea

1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea (PubChem CID 110874645) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
PubChem CID110874645
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cccc2c1OCC2
InChIInChI=1S/C12H16N2O2/c1-2-7-13-12(15)14-10-5-3-4-9-6-8-16-11(9)10/h3-5H,2,6-8H2,1H3,(H2,13,14,15)
InChIKeyFZSBCCBJEWYJMG-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2,3-dihydro-1-benzofuran-7-yl)urea
CID 110874643
1-(2,3-dihydro-1-benzofuran-7-yl)-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 166246628
1-[2-(diethylamino)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)urea
CID 60545632
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-propyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 28786606
1-propyl-3-[2-[[2-(propylcarbamoylamino)phenyl]diselanyl]phenyl]urea
CID 5272992
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(3R)-3-hydroxypentyl]urea
CID 99585476
1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217653
2,3-dihydro-1-benzofuran-7-ylhydrazine
CID 12805955
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-8-yl)urea
CID 110874634

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea (CID 110874645) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea is CCCNC(=O)Nc1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
The InChIKey is FZSBCCBJEWYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-7-13-12(15)14-10-5-3-4-9-6-8-16-11(9)10/h3-5H,2,6-8H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea has a molecular weight of 220.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea is sourced from PubChem (CID 110874645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).