N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide

C22H25F3N4O3 — CID 55803571

IUPACN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C22H25F3N4O3/c23-22(24,25)19-14-18(29-10-12-32-13-11-29)7-6-16(19)15-27-20(30)8-9-26-21(31)28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,27,30)(H2,26,28,31)
InChIKeyFCEUMMAJVTULCG-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.37
Rot. Bonds7

About N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide

N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide (PubChem CID 55803571) has the molecular formula C22H25F3N4O3 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
PubChem CID55803571
Molecular FormulaC22H25F3N4O3
Molecular Weight450.46 g/mol
Exact Mass450.19
IUPAC NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
SMILESO=C(CCNC(=O)Nc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C22H25F3N4O3/c23-22(24,25)19-14-18(29-10-12-32-13-11-29)7-6-16(19)15-27-20(30)8-9-26-21(31)28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,27,30)(H2,26,28,31)
InChIKeyFCEUMMAJVTULCG-UHFFFAOYSA-N
XLogP3.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
1-methyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]indole-3-carboxamide
CID 167973431
3-bromo-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55969265
2-methyl-1-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135770
2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55803637
2-benzyl-1-ethyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110954495
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 138994426
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 71657501
2-methyl-1-(2-methylcyclopropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111961550
N',3,3-trimethyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111737974

Frequently Asked Questions

What is the IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide (CID 55803571) is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide is O=C(CCNC(=O)Nc1ccccc1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide?
The InChIKey is FCEUMMAJVTULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3/c23-22(24,25)19-14-18(29-10-12-32-13-11-29)7-6-16(19)15-27-20(30)8-9-26-21(31)28-17-4-2-1-3-5-17/h1-7,14H,8-13,15H2,(H,27,30)(H2,26,28,31).
What are the key properties of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide?
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide has a molecular weight of 450.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 55803571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).