1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea

C22H27F3N4O2 — CID 162658042

IUPAC1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H27F3N4O2/c1-28(2)20(16-6-4-3-5-7-16)15-26-21(30)27-18-14-17(22(23,24)25)8-9-19(18)29-10-12-31-13-11-29/h3-9,14,20H,10-13,15H2,1-2H3,(H2,26,27,30)
InChIKeyOUAOCUUNPFPRQK-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.97
Rot. Bonds6

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

1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea (PubChem CID 162658042) has the molecular formula C22H27F3N4O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
PubChem CID162658042
Molecular FormulaC22H27F3N4O2
Molecular Weight436.48 g/mol
Exact Mass436.21
IUPAC Name1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
SMILESCN(C)C(CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H27F3N4O2/c1-28(2)20(16-6-4-3-5-7-16)15-26-21(30)27-18-14-17(22(23,24)25)8-9-19(18)29-10-12-31-13-11-29/h3-9,14,20H,10-13,15H2,1-2H3,(H2,26,27,30)
InChIKeyOUAOCUUNPFPRQK-UHFFFAOYSA-N
XLogP3.97
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 116583
1-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 132008498
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
1-(1-Benzylpiperidin-4-yl)-3-(3-(trifluoromethyl)phenyl)urea
CID 3848011
1-[1-(3-Methylbutyl)-5-(2-morpholin-4-ylethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
CID 56663144
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N-{2-[4-(4-ethylphenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1256791
3-[3-(Morpholin-4-yl)propyl]-1-(4-{[4-({[3-(morpholin-4-yl)propyl]carbamoyl}amino)phenyl]methyl}phenyl)urea
CID 330452
Methyl [2-(4-phenyl-1-piperazinyl)-5-(trifluoromethyl)phenyl]carbamate
CID 1253511
6-(3-Ethyl-4-methyl-phenylamino)-3-(2-morpholin-4-yl-ethyl)-1H-pyrimidine-2,4-dione
CID 11710181
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 16737985
2-(2,3-dihydro-1H-inden-5-ylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 17554503

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea (CID 162658042) is 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea is CN(C)C(CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is OUAOCUUNPFPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O2/c1-28(2)20(16-6-4-3-5-7-16)15-26-21(30)27-18-14-17(22(23,24)25)8-9-19(18)29-10-12-31-13-11-29/h3-9,14,20H,10-13,15H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea?
1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 436.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-phenylethyl]-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 162658042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).