1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea

C19H20N2O3 — CID 42723915

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
SMILESO=C(NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C19H20N2O3/c22-19(20-11-14-4-2-1-3-5-14)21(16-7-8-16)12-15-6-9-17-18(10-15)24-13-23-17/h1-6,9-10,16H,7-8,11-13H2,(H,20,22)
InChIKeyLMDPYWRUXOQPNV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.29
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea

1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea (PubChem CID 42723915) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
PubChem CID42723915
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
SMILESO=C(NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C19H20N2O3/c22-19(20-11-14-4-2-1-3-5-14)21(16-7-8-16)12-15-6-9-17-18(10-15)24-13-23-17/h1-6,9-10,16H,7-8,11-13H2,(H,20,22)
InChIKeyLMDPYWRUXOQPNV-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpiperidin-4-yl)-3-(furan-2-ylmethyl)urea
CID 20908096
1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42723918
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-5-[[benzoyl(cyclopropyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23767437
(5S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42367205
(5R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42367208

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea (CID 42723915) is 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea is O=C(NCc1ccccc1)N(Cc1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea?
The InChIKey is LMDPYWRUXOQPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19(20-11-14-4-2-1-3-5-14)21(16-7-8-16)12-15-6-9-17-18(10-15)24-13-23-17/h1-6,9-10,16H,7-8,11-13H2,(H,20,22).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea?
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea has a molecular weight of 324.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea is sourced from PubChem (CID 42723915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).