3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea

C21H19N3O3 — CID 86986993

IUPAC3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCOc1cc2c(cc1NC(=O)N(C)Cc1ccncc1)oc1ccccc12
InChIInChI=1S/C21H19N3O3/c1-24(13-14-7-9-22-10-8-14)21(25)23-17-12-19-16(11-20(17)26-2)15-5-3-4-6-18(15)27-19/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyYCIULSAQVRRPNI-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.65
Rot. Bonds4

About 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea

3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 86986993) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea
PubChem CID86986993
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCOc1cc2c(cc1NC(=O)N(C)Cc1ccncc1)oc1ccccc12
InChIInChI=1S/C21H19N3O3/c1-24(13-14-7-9-22-10-8-14)21(25)23-17-12-19-16(11-20(17)26-2)15-5-3-4-6-18(15)27-19/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyYCIULSAQVRRPNI-UHFFFAOYSA-N
XLogP4.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(2-phenoxyethyl)urea
CID 55696611
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8863615
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(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
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 8516163

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea (CID 86986993) is 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea is COc1cc2c(cc1NC(=O)N(C)Cc1ccncc1)oc1ccccc12.
What is the InChIKey of 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is YCIULSAQVRRPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-24(13-14-7-9-22-10-8-14)21(25)23-17-12-19-16(11-20(17)26-2)15-5-3-4-6-18(15)27-19/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea?
3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 361.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxydibenzofuran-3-yl)-1-methyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 86986993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).