(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide

C25H24F3NO4 — CID 41047748

IUPAC(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide
SMILESCOc1cc(CNC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C25H24F3NO4/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)16-29-23(30)15-24(31,25(26,27)28)20-10-6-3-7-11-20/h2-14,31H,15-17H2,1H3,(H,29,30)/t24-/m1/s1
InChIKeySIIFFCGRWJDGTQ-XMMPIXPASA-N
MW459.46 g/mol
LogP4.73
Rot. Bonds9

About (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide

(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide (PubChem CID 41047748) has the molecular formula C25H24F3NO4 and a molecular weight of 459.46 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide
PubChem CID41047748
Molecular FormulaC25H24F3NO4
Molecular Weight459.46 g/mol
Exact Mass459.17
IUPAC Name(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide
SMILESCOc1cc(CNC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C25H24F3NO4/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)16-29-23(30)15-24(31,25(26,27)28)20-10-6-3-7-11-20/h2-14,31H,15-17H2,1H3,(H,29,30)/t24-/m1/s1
InChIKeySIIFFCGRWJDGTQ-XMMPIXPASA-N
XLogP4.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide with MolForge

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl] 3-methylbut-2-enoate
CID 9290919
2-(3,4-dimethoxyphenyl)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376510
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
(3R)-N-[(3,4-dimethoxyphenyl)methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 9082453
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 24633380
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide?
The IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide (CID 41047748) is (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide is COc1cc(CNC(=O)C[C@@](O)(c2ccccc2)C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide?
The InChIKey is SIIFFCGRWJDGTQ-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24F3NO4/c1-32-22-14-19(12-13-21(22)33-17-18-8-4-2-5-9-18)16-29-23(30)15-24(31,25(26,27)28)20-10-6-3-7-11-20/h2-14,31H,15-17H2,1H3,(H,29,30)/t24-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide?
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide has a molecular weight of 459.46 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 41047748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).