(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide

C26H25F3N2O4 — CID 26918034

IUPAC(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C26H25F3N2O4/c1-3-34-20-10-12-21(13-11-20)35-24-14-9-19(26(27,28)29)15-23(24)31-25(33)16-22(30-17(2)32)18-7-5-4-6-8-18/h4-15,22H,3,16H2,1-2H3,(H,30,32)(H,31,33)/t22-/m1/s1
InChIKeyVQKNESGKBPKSES-JOCHJYFZSA-N
MW486.49 g/mol
LogP6.10
Rot. Bonds9

About (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide

(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide (PubChem CID 26918034) has the molecular formula C26H25F3N2O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
PubChem CID26918034
Molecular FormulaC26H25F3N2O4
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC Name(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESCCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C26H25F3N2O4/c1-3-34-20-10-12-21(13-11-20)35-24-14-9-19(26(27,28)29)15-23(24)31-25(33)16-22(30-17(2)32)18-7-5-4-6-8-18/h4-15,22H,3,16H2,1-2H3,(H,30,32)(H,31,33)/t22-/m1/s1
InChIKeyVQKNESGKBPKSES-JOCHJYFZSA-N
XLogP6.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide with MolForge

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Related Compounds

tert-butyl N-[2-[[3-acetamido-3-(4-methoxyphenyl)propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamate
CID 55971000
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
N-[(1S)-3-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 9343396
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323
N-(tert-butylcarbamoyl)-2-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)anilino]acetamide
CID 2440684
3-acetamido-3-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46689046
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 24505901
3-acetamido-N-[4-(4-methylphenoxy)phenyl]-3-phenylpropanamide
CID 24636973
3-acetamido-N-(2-hydroxyphenyl)-3-phenylpropanamide
CID 78796655
N-[3-oxo-1-phenyl-3-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propyl]acetamide
CID 56777609
(1R,2R,4R)-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11921158

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide (CID 26918034) is (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide is CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1.
What is the InChIKey of (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The InChIKey is VQKNESGKBPKSES-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25F3N2O4/c1-3-34-20-10-12-21(13-11-20)35-24-14-9-19(26(27,28)29)15-23(24)31-25(33)16-22(30-17(2)32)18-7-5-4-6-8-18/h4-15,22H,3,16H2,1-2H3,(H,30,32)(H,31,33)/t22-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide?
(3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide has a molecular weight of 486.49 g/mol, XLogP of 6.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-[2-(4-ethoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 26918034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).