1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C18H22N2O4 — CID 51116321

IUPAC1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NCCc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C18H22N2O4/c1-12-3-5-15(24-12)13(2)20-18(21)19-8-7-14-4-6-16-17(11-14)23-10-9-22-16/h3-6,11,13H,7-10H2,1-2H3,(H2,19,20,21)
InChIKeyCAGBJGQNBSKJKA-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 51116321) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID51116321
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCc1ccc(C(C)NC(=O)NCCc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C18H22N2O4/c1-12-3-5-15(24-12)13(2)20-18(21)19-8-7-14-4-6-16-17(11-14)23-10-9-22-16/h3-6,11,13H,7-10H2,1-2H3,(H2,19,20,21)
InChIKeyCAGBJGQNBSKJKA-UHFFFAOYSA-N
XLogP2.96
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 47216305
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methyl-3-[(1S)-1-(5-methylfuran-2-yl)ethyl]guanidine
CID 97055859
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897255
2-(carbamoylamino)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methylbutanamide
CID 42908832
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 18129431
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propylurea
CID 29024804
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 120666625
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-ethoxyphenyl)urea
CID 113217501
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]but-2-enamide
CID 73010512
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(carbamoylamino)propanamide
CID 18159601

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 51116321) is 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is Cc1ccc(C(C)NC(=O)NCCc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is CAGBJGQNBSKJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-3-5-15(24-12)13(2)20-18(21)19-8-7-14-4-6-16-17(11-14)23-10-9-22-16/h3-6,11,13H,7-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 330.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 51116321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).