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

C19H22N2O3 — CID 113216761

IUPAC1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
SMILESCC(C)(NC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O3/c1-19(2,15-8-9-16-17(12-15)24-11-10-23-16)21-18(22)20-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyCNOVQFHERWMCIH-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.19
Rot. Bonds4

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

1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea (PubChem CID 113216761) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
PubChem CID113216761
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
SMILESCC(C)(NC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O3/c1-19(2,15-8-9-16-17(12-15)24-11-10-23-16)21-18(22)20-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22)
InChIKeyCNOVQFHERWMCIH-UHFFFAOYSA-N
XLogP3.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(pyridin-3-ylmethyl)urea
CID 113216776
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 113216793
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 47087356
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-phenylacetamide
CID 113090597
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
1-(1,3-benzodioxol-5-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216884
1-benzyl-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]urea
CID 110371399
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-2-phenylbutan-2-yl]urea
CID 95760870
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 113091617
1-benzyl-3-(2,3,3-trimethylbutan-2-yl)urea
CID 131211782

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea?
The IUPAC name of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea (CID 113216761) is 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea?
The canonical SMILES for 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea is CC(C)(NC(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea?
The InChIKey is CNOVQFHERWMCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(2,15-8-9-16-17(12-15)24-11-10-23-16)21-18(22)20-13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea?
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea is sourced from PubChem (CID 113216761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).