N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide

C26H27F3N2O — CID 69039769

IUPACN-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1
InChIInChI=1S/C26H27F3N2O/c1-19-10-16-23(17-11-19)31(24(25(32)30-2)21-8-4-3-5-9-21)18-6-7-20-12-14-22(15-13-20)26(27,28)29/h3-5,8-17,24H,6-7,18H2,1-2H3,(H,30,32)
InChIKeyJUNBMIWCAKLQEW-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.94
Rot. Bonds8

About N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide

N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide (PubChem CID 69039769) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
PubChem CID69039769
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC NameN-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1
InChIInChI=1S/C26H27F3N2O/c1-19-10-16-23(17-11-19)31(24(25(32)30-2)21-8-4-3-5-9-21)18-6-7-20-12-14-22(15-13-20)26(27,28)29/h3-5,8-17,24H,6-7,18H2,1-2H3,(H,30,32)
InChIKeyJUNBMIWCAKLQEW-UHFFFAOYSA-N
XLogP5.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[3,4-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041685
(2S)-2-[2-fluoro-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69044596
(2S)-N-methyl-2-phenyl-2-[3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]acetamide;hydrochloride
CID 87668307
(2R)-N-methyl-2-(3-methyl-N-[2-[3-[4-(trifluoromethyl)phenyl]propyl]phenyl]anilino)-2-phenylacetamide
CID 69094498
(2R)-2-[3,4-dimethoxy-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69043156
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69039817
(2S)-2-[4-chloro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041144
2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041629
(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
CID 69041041
2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[1-iodo-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 89258556
(2R)-2-[4-fluoro-3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 87668640

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
The IUPAC name of N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide (CID 69039769) is N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide is CNC(=O)C(c1ccccc1)N(CCCc1ccc(C(F)(F)F)cc1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
The InChIKey is JUNBMIWCAKLQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-19-10-16-23(17-11-19)31(24(25(32)30-2)21-8-4-3-5-9-21)18-6-7-20-12-14-22(15-13-20)26(27,28)29/h3-5,8-17,24H,6-7,18H2,1-2H3,(H,30,32).
What are the key properties of N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide?
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide has a molecular weight of 440.51 g/mol, XLogP of 5.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide is sourced from PubChem (CID 69039769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).