1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea

C20H24N2O3 — CID 110371399

IUPAC1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea
SMILESCC(CCNC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O3/c1-15(17-7-8-18-19(13-17)25-12-11-24-18)9-10-21-20(23)22-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,21,22,23)
InChIKeyGBMAJXIFCMNQFR-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.45
Rot. Bonds6

About 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea

1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea (PubChem CID 110371399) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea
PubChem CID110371399
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea
SMILESCC(CCNC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H24N2O3/c1-15(17-7-8-18-19(13-17)25-12-11-24-18)9-10-21-20(23)22-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,21,22,23)
InChIKeyGBMAJXIFCMNQFR-UHFFFAOYSA-N
XLogP3.45
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-benzylurea
CID 17457631
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-phenylethanesulfonamide
CID 110371439
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]methanesulfonamide
CID 110371412
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyethyl)urea
CID 71894166
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
[(1R)-2-(benzylcarbamoylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropyl] acetate
CID 129295825
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]urea
CID 42928280
2-(benzylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046179
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propylurea
CID 29024804

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea?
The IUPAC name of 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea (CID 110371399) is 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea?
The canonical SMILES for 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea is CC(CCNC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea?
The InChIKey is GBMAJXIFCMNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(17-7-8-18-19(13-17)25-12-11-24-18)9-10-21-20(23)22-14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H2,21,22,23).
What are the key properties of 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea?
1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea has a molecular weight of 340.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea is sourced from PubChem (CID 110371399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).