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

C15H20N2O3 — CID 47022406

IUPAC3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
SMILESCCCN(CC1CC1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-2-7-17(9-11-3-4-11)15(18)16-12-5-6-13-14(8-12)20-10-19-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,16,18)
InChIKeySMDWPXYMSFEVDZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.07
Rot. Bonds5

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

3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea (PubChem CID 47022406) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
PubChem CID47022406
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea
SMILESCCCN(CC1CC1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O3/c1-2-7-17(9-11-3-4-11)15(18)16-12-5-6-13-14(8-12)20-10-19-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,16,18)
InChIKeySMDWPXYMSFEVDZ-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,3-benzodioxol-5-ylcarbamoyl(cyclopropylmethyl)amino]acetic acid
CID 43655636
3-(1,3-benzodioxol-5-yl)-1-butyl-1-propylurea
CID 108893738
1-(cyclopropylmethyl)-3-naphthalen-2-yl-1-propylurea
CID 3853598
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966915
3-(1,3-benzodioxol-5-yl)-1,1-bis(2-methoxyethyl)urea
CID 51324616
3-(1,3-benzodioxol-5-yl)-1-butyl-1-methylurea
CID 47135837
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914988
3-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1-propylthiourea
CID 3843614

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea (CID 47022406) is 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea is CCCN(CC1CC1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea?
The InChIKey is SMDWPXYMSFEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-7-17(9-11-3-4-11)15(18)16-12-5-6-13-14(8-12)20-10-19-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,16,18).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea?
3-(1,3-benzodioxol-5-yl)-1-(cyclopropylmethyl)-1-propylurea has a molecular weight of 276.34 g/mol, XLogP of 3.07, 5 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-(cyclopropylmethyl)-1-propylurea is sourced from PubChem (CID 47022406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).