N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H22F3N5O3 — CID 55328599

IUPACN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C19H22F3N5O3/c1-25(18(29)13-27-7-6-16(24-27)19(20,21)22)12-17(28)23-14-2-4-15(5-3-14)26-8-10-30-11-9-26/h2-7H,8-13H2,1H3,(H,23,28)
InChIKeyMNJGTWGNXAEOAT-UHFFFAOYSA-N
MW425.41 g/mol
LogP1.84
Rot. Bonds6

About N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55328599) has the molecular formula C19H22F3N5O3 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55328599
Molecular FormulaC19H22F3N5O3
Molecular Weight425.41 g/mol
Exact Mass425.17
IUPAC NameN-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C19H22F3N5O3/c1-25(18(29)13-27-7-6-16(24-27)19(20,21)22)12-17(28)23-14-2-4-15(5-3-14)26-8-10-30-11-9-26/h2-7H,8-13H2,1H3,(H,23,28)
InChIKeyMNJGTWGNXAEOAT-UHFFFAOYSA-N
XLogP1.84
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9303861
2-[methyl-[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 9200812
N,N-dimethyl-4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzamide
CID 38107131
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 27850751
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 55403134
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
4-cyclohexyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 9409582
[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886433
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55328599) is N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MNJGTWGNXAEOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3/c1-25(18(29)13-27-7-6-16(24-27)19(20,21)22)12-17(28)23-14-2-4-15(5-3-14)26-8-10-30-11-9-26/h2-7H,8-13H2,1H3,(H,23,28).
What are the key properties of N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 425.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55328599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).