1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea

C21H24F3N3O4 — CID 55744621

IUPAC1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(O)CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4/c1-30-16-5-2-14(3-6-16)19(28)13-25-20(29)26-18-7-4-15(12-17(18)21(22,23)24)27-8-10-31-11-9-27/h2-7,12,19,28H,8-11,13H2,1H3,(H2,25,26,29)
InChIKeyBVSWVNKPSGSWEV-UHFFFAOYSA-N
MW439.43 g/mol
LogP3.41
Rot. Bonds6

About 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea

1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea (PubChem CID 55744621) has the molecular formula C21H24F3N3O4 and a molecular weight of 439.43 g/mol. Its IUPAC name is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
PubChem CID55744621
Molecular FormulaC21H24F3N3O4
Molecular Weight439.43 g/mol
Exact Mass439.17
IUPAC Name1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(O)CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1
InChIInChI=1S/C21H24F3N3O4/c1-30-16-5-2-14(3-6-16)19(28)13-25-20(29)26-18-7-4-15(12-17(18)21(22,23)24)27-8-10-31-11-9-27/h2-7,12,19,28H,8-11,13H2,1H3,(H2,25,26,29)
InChIKeyBVSWVNKPSGSWEV-UHFFFAOYSA-N
XLogP3.41
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]propanamide
CID 51959604
1-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 55744650
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
4-(5-methylthiophen-2-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-4-oxobutanamide
CID 55795204
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110621112
N-[2-hydroxy-2-(4-morpholin-4-ylphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 112536125
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
2-(4-methoxyphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48664298
propan-2-yl 2,4-dimethyl-5-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55864298
methyl 2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-morpholin-4-ylbenzoate
CID 119840953

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea (CID 55744621) is 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea is COc1ccc(C(O)CNC(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1.
What is the InChIKey of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
The InChIKey is BVSWVNKPSGSWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O4/c1-30-16-5-2-14(3-6-16)19(28)13-25-20(29)26-18-7-4-15(12-17(18)21(22,23)24)27-8-10-31-11-9-27/h2-7,12,19,28H,8-11,13H2,1H3,(H2,25,26,29).
What are the key properties of 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea?
1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea has a molecular weight of 439.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 55744621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).