(2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide

C18H26F3NO6 — CID 53388067

IUPAC(2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide
SMILESCOCCOCCOC[C@@H](CO)NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H26F3NO6/c1-25-8-9-27-10-11-28-13-15(12-23)22-16(24)17(26-2,18(19,20)21)14-6-4-3-5-7-14/h3-7,15,23H,8-13H2,1-2H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyBZORMSFNAFWJMX-NVXWUHKLSA-N
MW409.40 g/mol
LogP1.25
Rot. Bonds13

About (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide

(2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide (PubChem CID 53388067) has the molecular formula C18H26F3NO6 and a molecular weight of 409.40 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide
PubChem CID53388067
Molecular FormulaC18H26F3NO6
Molecular Weight409.40 g/mol
Exact Mass409.17
IUPAC Name(2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide
SMILESCOCCOCCOC[C@@H](CO)NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H26F3NO6/c1-25-8-9-27-10-11-28-13-15(12-23)22-16(24)17(26-2,18(19,20)21)14-6-4-3-5-7-14/h3-7,15,23H,8-13H2,1-2H3,(H,22,24)/t15-,17-/m1/s1
InChIKeyBZORMSFNAFWJMX-NVXWUHKLSA-N
XLogP1.25
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-phenyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid
CID 16681607
methyl (2S,3S)-3-methyl-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]pentanoate
CID 102095413
tert-butyl (2S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoate
CID 10480770
ethyl (2R)-3-methyl-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]butanoate
CID 11371864
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201
(2R)-2-(4-chlorophenyl)-2-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]acetic acid
CID 10069650
(2R)-N-[(1R)-2,2-dimethyl-1-naphthalen-1-ylpropyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 101097136
(2R)-N-[(3S)-4-butyl-4-hydroxy-2-methyloctan-3-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 10252194
methyl (3S)-3-[4-[bis(phenylmethoxy)phosphorylmethyl]phenyl]-3-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoate
CID 101209661
potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102071595
ethyl (E)-5-phenyl-4-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)amino]pent-2-enoate
CID 5375170
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide (CID 53388067) is (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide is COCCOCCOC[C@@H](CO)NC(=O)[C@](OC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide?
The InChIKey is BZORMSFNAFWJMX-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H26F3NO6/c1-25-8-9-27-10-11-28-13-15(12-23)22-16(24)17(26-2,18(19,20)21)14-6-4-3-5-7-14/h3-7,15,23H,8-13H2,1-2H3,(H,22,24)/t15-,17-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide?
(2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide has a molecular weight of 409.40 g/mol, XLogP of 1.25, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]propan-2-yl]-2-methoxy-2-phenylpropanamide is sourced from PubChem (CID 53388067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).