3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea

C15H22N2O3 — CID 108893738

IUPAC3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-3-5-9-17(8-4-2)15(18)16-12-6-7-13-14(10-12)20-11-19-13/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyLJDMIFQSQNTSDJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.46
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea

3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea (PubChem CID 108893738) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
PubChem CID108893738
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
SMILESCCCCN(CCC)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O3/c1-3-5-9-17(8-4-2)15(18)16-12-6-7-13-14(10-12)20-11-19-13/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyLJDMIFQSQNTSDJ-UHFFFAOYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-yl)-1-butyl-1-methylurea
CID 47135837
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
CID 47022406
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
3-(1,3-benzodioxol-5-yl)-1,1-dipentylthiourea
CID 19653308
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966915
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
2-N-(1,3-benzodioxol-5-yl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140207
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea (CID 108893738) is 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea is CCCCN(CCC)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea?
The InChIKey is LJDMIFQSQNTSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-9-17(8-4-2)15(18)16-12-6-7-13-14(10-12)20-11-19-13/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea?
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea has a molecular weight of 278.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea is sourced from PubChem (CID 108893738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).