1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

C23H29F3N4O3 — CID 60589945

IUPAC1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C23H29F3N4O3/c1-29(2)21-7-6-18(23(24,25)26)15-20(21)28-22(31)27-16-17-4-3-5-19(14-17)33-13-10-30-8-11-32-12-9-30/h3-7,14-15H,8-13,16H2,1-2H3,(H2,27,28,31)
InChIKeyYMWSRROELNZFBE-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.80
Rot. Bonds8

About 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea

1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (PubChem CID 60589945) has the molecular formula C23H29F3N4O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
PubChem CID60589945
Molecular FormulaC23H29F3N4O3
Molecular Weight466.50 g/mol
Exact Mass466.22
IUPAC Name1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C23H29F3N4O3/c1-29(2)21-7-6-18(23(24,25)26)15-20(21)28-22(31)27-16-17-4-3-5-19(14-17)33-13-10-30-8-11-32-12-9-30/h3-7,14-15H,8-13,16H2,1-2H3,(H2,27,28,31)
InChIKeyYMWSRROELNZFBE-UHFFFAOYSA-N
XLogP3.80
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
1-(4-bromo-2-methylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60589914
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
1-(3,4-dichlorophenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 60590463
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
2-(3,4-dichlorophenyl)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 52807125
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
1,2-dimethyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918710
2-(2-chlorophenoxy)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea (CID 60589945) is 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
The InChIKey is YMWSRROELNZFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O3/c1-29(2)21-7-6-18(23(24,25)26)15-20(21)28-22(31)27-16-17-4-3-5-19(14-17)33-13-10-30-8-11-32-12-9-30/h3-7,14-15H,8-13,16H2,1-2H3,(H2,27,28,31).
What are the key properties of 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea?
1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea has a molecular weight of 466.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea is sourced from PubChem (CID 60589945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).