N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C23H24F3N3O3 — CID 60598898

IUPACN-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C23H24F3N3O3/c1-15-7-8-18-19(11-15)22(32)29(21(18)31)14-20(30)28(10-9-27(2)3)13-16-5-4-6-17(12-16)23(24,25)26/h4-8,11-12H,9-10,13-14H2,1-3H3
InChIKeyJZRTUNRJLDGSDJ-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 60598898) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID60598898
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C2=O
InChIInChI=1S/C23H24F3N3O3/c1-15-7-8-18-19(11-15)22(32)29(21(18)31)14-20(30)28(10-9-27(2)3)13-16-5-4-6-17(12-16)23(24,25)26/h4-8,11-12H,9-10,13-14H2,1-3H3
InChIKeyJZRTUNRJLDGSDJ-UHFFFAOYSA-N
XLogP3.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30860521
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598768
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 51097153
[3-(trifluoromethyl)phenyl]methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816578
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855
3-[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065197
N-[2-(dimethylamino)ethyl]-7-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 126803408
2-amino-N-[2-(dimethylamino)ethyl]-3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120993063
2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
CID 119200050
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 72940877
4-[[2-(dimethylamino)ethyl-[[3-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]butanoic acid
CID 122021394
2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 26292160

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 60598898) is N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1)C2=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is JZRTUNRJLDGSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-15-7-8-18-19(11-15)22(32)29(21(18)31)14-20(30)28(10-9-27(2)3)13-16-5-4-6-17(12-16)23(24,25)26/h4-8,11-12H,9-10,13-14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 447.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60598898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).