3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide

C24H29F3N4O2 — CID 55788182

IUPAC3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C24H29F3N4O2/c1-16-4-6-18(7-5-16)22(28-17(2)32)15-23(33)29-21-9-8-19(14-20(21)24(25,26)27)31-12-10-30(3)11-13-31/h4-9,14,22H,10-13,15H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyZFYNYCRUXXMZMV-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.97
Rot. Bonds6

About 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide

3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55788182) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
PubChem CID55788182
Molecular FormulaC24H29F3N4O2
Molecular Weight462.52 g/mol
Exact Mass462.22
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C24H29F3N4O2/c1-16-4-6-18(7-5-16)22(28-17(2)32)15-23(33)29-21-9-8-19(14-20(21)24(25,26)27)31-12-10-30(3)11-13-31/h4-9,14,22H,10-13,15H2,1-3H3,(H,28,32)(H,29,33)
InChIKeyZFYNYCRUXXMZMV-UHFFFAOYSA-N
XLogP3.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-methylphenyl)propanamide
CID 134049407
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]octanamide
CID 55788373
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-propylsulfanylacetamide
CID 55880920
3-acetamido-N-(2-hydroxy-4-methylphenyl)-3-(4-methylphenyl)propanamide
CID 46690602
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
3-acetamido-3-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55492554
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 78887562
5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 55788114

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide (CID 55788182) is 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide is CC(=O)NC(CC(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ZFYNYCRUXXMZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-16-4-6-18(7-5-16)22(28-17(2)32)15-23(33)29-21-9-8-19(14-20(21)24(25,26)27)31-12-10-30(3)11-13-31/h4-9,14,22H,10-13,15H2,1-3H3,(H,28,32)(H,29,33).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 462.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55788182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).