1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

C15H20N2O3 — CID 844261

IUPAC1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(16-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)20-9-8-19-13/h6-7,10-11H,1-5,8-9H2,(H2,16,17,18)
InChIKeySZYOOVNTPYBCFG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.91
Rot. Bonds2

About 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea (PubChem CID 844261) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
PubChem CID844261
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
SMILESO=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1
InChIInChI=1S/C15H20N2O3/c18-15(16-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)20-9-8-19-13/h6-7,10-11H,1-5,8-9H2,(H2,16,17,18)
InChIKeySZYOOVNTPYBCFG-UHFFFAOYSA-N
XLogP2.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
CID 70696645
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)acetamide
CID 565773
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-methoxy-phenyl)-urea
CID 10741057
N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 971960
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(3-nitrophenyl)urea
CID 2207291
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylthiourea
CID 2731591
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-hydroxyethyl)thiourea
CID 2731592
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-N'-(2-phenylethyl)ethane-1,2-diamide
CID 3154023
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea (CID 844261) is 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is O=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
The InChIKey is SZYOOVNTPYBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(16-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)20-9-8-19-13/h6-7,10-11H,1-5,8-9H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea?
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea has a molecular weight of 276.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is sourced from PubChem (CID 844261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).