1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea

C22H20N2O4 — CID 72686859

IUPAC1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
SMILESCOc1cc2c(cc1NC(=O)NC(CO)c1ccccc1)oc1ccccc12
InChIInChI=1S/C22H20N2O4/c1-27-21-11-16-15-9-5-6-10-19(15)28-20(16)12-17(21)23-22(26)24-18(13-25)14-7-3-2-4-8-14/h2-12,18,25H,13H2,1H3,(H2,23,24,26)
InChIKeyDQMGTDQNVHGQMS-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.45
Rot. Bonds5

About 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea

1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea (PubChem CID 72686859) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
PubChem CID72686859
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
SMILESCOc1cc2c(cc1NC(=O)NC(CO)c1ccccc1)oc1ccccc12
InChIInChI=1S/C22H20N2O4/c1-27-21-11-16-15-9-5-6-10-19(15)28-20(16)12-17(21)23-22(26)24-18(13-25)14-7-3-2-4-8-14/h2-12,18,25H,13H2,1H3,(H2,23,24,26)
InChIKeyDQMGTDQNVHGQMS-UHFFFAOYSA-N
XLogP4.45
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea?
The IUPAC name of 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea (CID 72686859) is 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea?
The canonical SMILES for 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea is COc1cc2c(cc1NC(=O)NC(CO)c1ccccc1)oc1ccccc12.
What is the InChIKey of 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea?
The InChIKey is DQMGTDQNVHGQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-21-11-16-15-9-5-6-10-19(15)28-20(16)12-17(21)23-22(26)24-18(13-25)14-7-3-2-4-8-14/h2-12,18,25H,13H2,1H3,(H2,23,24,26).
What are the key properties of 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea?
1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea has a molecular weight of 376.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea is sourced from PubChem (CID 72686859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).