3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea

C19H28N2O4 — CID 71917753

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CCCC2OCCC12)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C19H28N2O4/c22-19(20-17-6-1-7-18-16(17)8-11-25-18)21(12-14-4-2-9-23-14)13-15-5-3-10-24-15/h2,4,9,15-18H,1,3,5-8,10-13H2,(H,20,22)
InChIKeyDYBYQRRMVNQNHY-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.93
Rot. Bonds5

About 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea

3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea (PubChem CID 71917753) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
PubChem CID71917753
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CCCC2OCCC12)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C19H28N2O4/c22-19(20-17-6-1-7-18-16(17)8-11-25-18)21(12-14-4-2-9-23-14)13-15-5-3-10-24-15/h2,4,9,15-18H,1,3,5-8,10-13H2,(H,20,22)
InChIKeyDYBYQRRMVNQNHY-UHFFFAOYSA-N
XLogP2.93
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea 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

1-(furan-2-ylmethyl)-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 98873470
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
3-(dicyclopropylmethyl)-1-(furan-2-ylmethyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94653061
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071
3-(2,5-dibromophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577447
3-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 42773317
3-(3-chloro-2-fluorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577089

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea (CID 71917753) is 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea is O=C(NC1CCCC2OCCC12)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
The InChIKey is DYBYQRRMVNQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-19(20-17-6-1-7-18-16(17)8-11-25-18)21(12-14-4-2-9-23-14)13-15-5-3-10-24-15/h2,4,9,15-18H,1,3,5-8,10-13H2,(H,20,22).
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea?
3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea has a molecular weight of 348.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 71917753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).