1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea

C15H18N2O3 — CID 47141802

IUPAC1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1
InChIInChI=1S/C15H18N2O3/c18-15(17-14(9-1-2-9)10-3-4-10)16-11-5-6-12-13(7-11)20-8-19-12/h5-7,9-10,14H,1-4,8H2,(H2,16,17,18)
InChIKeyOPYSRKCKNDEZAC-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.73
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea

1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea (PubChem CID 47141802) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
PubChem CID47141802
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
SMILESO=C(Nc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1
InChIInChI=1S/C15H18N2O3/c18-15(17-14(9-1-2-9)10-3-4-10)16-11-5-6-12-13(7-11)20-8-19-12/h5-7,9-10,14H,1-4,8H2,(H2,16,17,18)
InChIKeyOPYSRKCKNDEZAC-UHFFFAOYSA-N
XLogP2.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-pentan-3-ylurea
CID 47132811
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
1-(1,3-benzodioxol-5-yl)-3-(4-hydroxyphenyl)urea
CID 14545057
(2R)-2-(1,3-benzodioxol-5-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927435
1-(1,3-benzodioxol-5-yl)-3-[1,3-bis(4-fluorophenyl)propan-2-yl]urea
CID 46286172
1-(1,3-benzodioxol-5-yl)-3-[(2S)-2-cyclohexyl-2-hydroxyethyl]urea
CID 95367592
2-(1,3-benzodioxol-5-ylcarbamoylamino)-N-ethylpropanamide
CID 47136019
(2S)-2-(1,3-benzodioxol-5-ylcarbamoylamino)pentanoic acid
CID 107565829
2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018483
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432
2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
CID 112735210
1-(1,3-benzodioxol-5-yl)-3-[1-(2-methylphenyl)ethyl]urea
CID 51301780

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea (CID 47141802) is 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea is O=C(Nc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea?
The InChIKey is OPYSRKCKNDEZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(17-14(9-1-2-9)10-3-4-10)16-11-5-6-12-13(7-11)20-8-19-12/h5-7,9-10,14H,1-4,8H2,(H2,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea has a molecular weight of 274.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea is sourced from PubChem (CID 47141802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).