N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide

C17H24F3N3O3 — CID 78787969

IUPACN-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCCCOC)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H24F3N3O3/c1-3-8-23(10-14(24)21-7-4-9-26-2)11-15(25)22-13-6-5-12(18)16(19)17(13)20/h5-6H,3-4,7-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGJXHNMKAZDMHPI-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.91
Rot. Bonds11

About N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide

N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide (PubChem CID 78787969) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
PubChem CID78787969
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC NameN-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)NCCCOC)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H24F3N3O3/c1-3-8-23(10-14(24)21-7-4-9-26-2)11-15(25)22-13-6-5-12(18)16(19)17(13)20/h5-6H,3-4,7-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGJXHNMKAZDMHPI-UHFFFAOYSA-N
XLogP1.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221865
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
1-N-(3-methoxypropyl)-4-N-(2,3,4-trifluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109146735
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104198
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide (CID 78787969) is N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide is CCCN(CC(=O)NCCCOC)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The InChIKey is GJXHNMKAZDMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-3-8-23(10-14(24)21-7-4-9-26-2)11-15(25)22-13-6-5-12(18)16(19)17(13)20/h5-6H,3-4,7-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.91, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide is sourced from PubChem (CID 78787969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).