N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide

C20H24F3N3O2 — CID 55720127

IUPACN-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccc2ccccc2c1)CC(F)(F)F
InChIInChI=1S/C20H24F3N3O2/c1-26(14-20(21,22)23)12-4-10-24-18(27)9-11-25-19(28)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyDXMKQVDMGBJONX-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.96
Rot. Bonds9

About N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55720127) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55720127
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCN(CCCNC(=O)CCNC(=O)c1ccc2ccccc2c1)CC(F)(F)F
InChIInChI=1S/C20H24F3N3O2/c1-26(14-20(21,22)23)12-4-10-24-18(27)9-11-25-19(28)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyDXMKQVDMGBJONX-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-[2-(2-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568477
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
4-anilino-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-nitrobenzamide
CID 55720906
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-[3-[3-(2,6-dimethylmorpholin-4-yl)propylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55631634
N-[(2-fluorophenyl)methyl]-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylcarbamoylamino]benzamide
CID 55809066
3-(cyclopropylsulfamoyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716024
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46481948

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55720127) is N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide is CN(CCCNC(=O)CCNC(=O)c1ccc2ccccc2c1)CC(F)(F)F.
What is the InChIKey of N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is DXMKQVDMGBJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-26(14-20(21,22)23)12-4-10-24-18(27)9-11-25-19(28)17-8-7-15-5-2-3-6-16(15)13-17/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55720127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).