(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide

C26H28F3N3O3 — CID 69041629

IUPAC(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1)N(CCCc1ccc(C(F)(F)F)nc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H28F3N3O3/c1-30-25(33)24(19-9-5-4-6-10-19)32(20-12-13-21(34-2)22(16-20)35-3)15-7-8-18-11-14-23(31-17-18)26(27,28)29/h4-6,9-14,16-17,24H,7-8,15H2,1-3H3,(H,30,33)/t24-/m1/s1
InChIKeyMWNHXGAFTQOXQR-XMMPIXPASA-N
MW487.52 g/mol
LogP5.04
Rot. Bonds10

About (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide

(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide (PubChem CID 69041629) has the molecular formula C26H28F3N3O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
PubChem CID69041629
Molecular FormulaC26H28F3N3O3
Molecular Weight487.52 g/mol
Exact Mass487.21
IUPAC Name(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1)N(CCCc1ccc(C(F)(F)F)nc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H28F3N3O3/c1-30-25(33)24(19-9-5-4-6-10-19)32(20-12-13-21(34-2)22(16-20)35-3)15-7-8-18-11-14-23(31-17-18)26(27,28)29/h4-6,9-14,16-17,24H,7-8,15H2,1-3H3,(H,30,33)/t24-/m1/s1
InChIKeyMWNHXGAFTQOXQR-XMMPIXPASA-N
XLogP5.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69039826
(2R)-2-[3,4-dimethoxy-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69043156
(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide
CID 69042296
(2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide
CID 69039839
2-[3,4-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041685
2-[(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69042267
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 69039769
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69039817
(2S)-N-methyl-2-phenyl-2-[3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]acetamide;hydrochloride
CID 87668307
[2-[3-methoxy-4-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]anilino]-2-oxo-1-phenylethyl] acetate
CID 91300435
2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69043321
(2S)-2-[[(1S)-3-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 59553610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide (CID 69041629) is (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](c1ccccc1)N(CCCc1ccc(C(F)(F)F)nc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
The InChIKey is MWNHXGAFTQOXQR-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28F3N3O3/c1-30-25(33)24(19-9-5-4-6-10-19)32(20-12-13-21(34-2)22(16-20)35-3)15-7-8-18-11-14-23(31-17-18)26(27,28)29/h4-6,9-14,16-17,24H,7-8,15H2,1-3H3,(H,30,33)/t24-/m1/s1.
What are the key properties of (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide?
(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide has a molecular weight of 487.52 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69041629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).