1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea

C16H22N2O3 — CID 6466690

IUPAC1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
SMILESCC(NC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O3/c1-11(12-7-8-14-15(9-12)21-10-20-14)17-16(19)18-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H2,17,18,19)
InChIKeyBHLOPROBNGGGPU-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.11
Rot. Bonds3

About 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea (PubChem CID 6466690) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
PubChem CID6466690
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
SMILESCC(NC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H22N2O3/c1-11(12-7-8-14-15(9-12)21-10-20-14)17-16(19)18-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H2,17,18,19)
InChIKeyBHLOPROBNGGGPU-UHFFFAOYSA-N
XLogP3.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropylurea
CID 47139460
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclohexylcarbamoylamino)propanamide
CID 18152940
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylcyclohexyl)urea
CID 75833131
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
1-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94439969
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 38290576
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 55744535
N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-2-carboxamide
CID 43704400
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea (CID 6466690) is 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea is CC(NC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea?
The InChIKey is BHLOPROBNGGGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(12-7-8-14-15(9-12)21-10-20-14)17-16(19)18-13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea?
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea has a molecular weight of 290.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 6466690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).