1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea

C19H24BrN3O3 — CID 112834693

IUPAC1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESCN(Cc1ccc(Br)o1)C(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H24BrN3O3/c1-22(13-16-7-8-18(20)26-16)19(24)21-17(15-5-3-2-4-6-15)14-23-9-11-25-12-10-23/h2-8,17H,9-14H2,1H3,(H,21,24)
InChIKeyHUEYJUMWIYERDG-UHFFFAOYSA-N
MW422.32 g/mol
LogP3.26
Rot. Bonds6

About 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea

1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea (PubChem CID 112834693) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea
PubChem CID112834693
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESCN(Cc1ccc(Br)o1)C(=O)NC(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H24BrN3O3/c1-22(13-16-7-8-18(20)26-16)19(24)21-17(15-5-3-2-4-6-15)14-23-9-11-25-12-10-23/h2-8,17H,9-14H2,1H3,(H,21,24)
InChIKeyHUEYJUMWIYERDG-UHFFFAOYSA-N
XLogP3.26
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea with MolForge

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Related Compounds

1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 112817992
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
5-bromo-N-[4-[(2-morpholin-4-yl-1-phenylethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 112834585
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
4-bromo-3,5-dimethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485450
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea (CID 112834693) is 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea is CN(Cc1ccc(Br)o1)C(=O)NC(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The InChIKey is HUEYJUMWIYERDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-22(13-16-7-8-18(20)26-16)19(24)21-17(15-5-3-2-4-6-15)14-23-9-11-25-12-10-23/h2-8,17H,9-14H2,1H3,(H,21,24).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea?
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea has a molecular weight of 422.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(2-morpholin-4-yl-1-phenylethyl)urea is sourced from PubChem (CID 112834693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).