1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

C23H22N2O4 — CID 55696455

IUPAC1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C23H22N2O4/c1-27-14-16-9-7-15(8-10-16)13-24-23(26)25-19-12-21-18(11-22(19)28-2)17-5-3-4-6-20(17)29-21/h3-12H,13-14H2,1-2H3,(H2,24,25,26)
InChIKeyMDBDQVNICZQOSB-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.06
Rot. Bonds6

About 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea

1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea (PubChem CID 55696455) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
PubChem CID55696455
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
InChIInChI=1S/C23H22N2O4/c1-27-14-16-9-7-15(8-10-16)13-24-23(26)25-19-12-21-18(11-22(19)28-2)17-5-3-4-6-20(17)29-21/h3-12H,13-14H2,1-2H3,(H2,24,25,26)
InChIKeyMDBDQVNICZQOSB-UHFFFAOYSA-N
XLogP5.06
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757
(2S)-2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2317955
1-[2-(methanesulfonamido)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 71895973
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxydibenzofuran-3-yl)urea
CID 4256084
(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
CID 2225841
N-(2-methoxydibenzofuran-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 9098188
1-(2-hydroxy-1-phenylethyl)-3-(2-methoxydibenzofuran-3-yl)urea
CID 72686859
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea (CID 55696455) is 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea is COCc1ccc(CNC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1.
What is the InChIKey of 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is MDBDQVNICZQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-14-16-9-7-15(8-10-16)13-24-23(26)25-19-12-21-18(11-22(19)28-2)17-5-3-4-6-20(17)29-21/h3-12H,13-14H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea?
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 390.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 55696455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).