N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane

C23H30F3N3O2 — CID 143988317

IUPACN-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane
SMILESCC.CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C21H24F3N3O2.C2H6/c1-27(20(29)18(25)12-7-15-5-3-2-4-6-15)14-13-26-19(28)16-8-10-17(11-9-16)21(22,23)24;1-2/h2-6,8-11,18H,7,12-14,25H2,1H3,(H,26,28);1-2H3
InChIKeyALQZMAPAUFXZKQ-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.88
Rot. Bonds8

About N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane

N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane (PubChem CID 143988317) has the molecular formula C23H30F3N3O2 and a molecular weight of 437.51 g/mol. Its IUPAC name is N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane.

Molecular Properties

Compound NameN-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane
PubChem CID143988317
Molecular FormulaC23H30F3N3O2
Molecular Weight437.51 g/mol
Exact Mass437.23
IUPAC NameN-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane
SMILESCC.CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C21H24F3N3O2.C2H6/c1-27(20(29)18(25)12-7-15-5-3-2-4-6-15)14-13-26-19(28)16-8-10-17(11-9-16)21(22,23)24;1-2/h2-6,8-11,18H,7,12-14,25H2,1H3,(H,26,28);1-2H3
InChIKeyALQZMAPAUFXZKQ-UHFFFAOYSA-N
XLogP3.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane?
The IUPAC name of N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane (CID 143988317) is N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane.
What is the SMILES notation for N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane?
The canonical SMILES for N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane is CC.CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane?
The InChIKey is ALQZMAPAUFXZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2.C2H6/c1-27(20(29)18(25)12-7-15-5-3-2-4-6-15)14-13-26-19(28)16-8-10-17(11-9-16)21(22,23)24;1-2/h2-6,8-11,18H,7,12-14,25H2,1H3,(H,26,28);1-2H3.
What are the key properties of N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane?
N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane has a molecular weight of 437.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-4-phenylbutanoyl)-methylamino]ethyl]-4-(trifluoromethyl)benzamide;ethane is sourced from PubChem (CID 143988317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).