3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea

C17H18N2O4 — CID 38213350

IUPAC3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)OCO2)N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H18N2O4/c20-17(19(13-4-5-13)10-14-2-1-7-21-14)18-9-12-3-6-15-16(8-12)23-11-22-15/h1-3,6-8,13H,4-5,9-11H2,(H,18,20)
InChIKeyYKJTYZIXLZPCMG-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.88
Rot. Bonds5

About 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea

3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea (PubChem CID 38213350) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
PubChem CID38213350
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccc2c(c1)OCO2)N(Cc1ccco1)C1CC1
InChIInChI=1S/C17H18N2O4/c20-17(19(13-4-5-13)10-14-2-1-7-21-14)18-9-12-3-6-15-16(8-12)23-11-22-15/h1-3,6-8,13H,4-5,9-11H2,(H,18,20)
InChIKeyYKJTYZIXLZPCMG-UHFFFAOYSA-N
XLogP2.88
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpiperidin-4-yl)-3-(furan-2-ylmethyl)urea
CID 20908096
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058880
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018590
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 5038218
N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887278
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 17457343
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 42773400
1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(furan-2-ylmethyl)urea
CID 42724338
N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
CID 110866090
1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine
CID 159683167
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
CID 39977410

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea (CID 38213350) is 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea is O=C(NCc1ccc2c(c1)OCO2)N(Cc1ccco1)C1CC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
The InChIKey is YKJTYZIXLZPCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-17(19(13-4-5-13)10-14-2-1-7-21-14)18-9-12-3-6-15-16(8-12)23-11-22-15/h1-3,6-8,13H,4-5,9-11H2,(H,18,20).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea?
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea has a molecular weight of 314.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 38213350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).