N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide

C23H26F3NO7 — CID 175270384

IUPACN-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide
SMILESCCON(CCOC)C(=O)Cc1c(CC)c(O)cc(O)c1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO7/c1-4-16-17(12-20(30)27(33-5-2)10-11-32-3)21(19(29)13-18(16)28)22(31)14-6-8-15(9-7-14)34-23(24,25)26/h6-9,13,28-29H,4-5,10-12H2,1-3H3
InChIKeyLIPDWOBLYBVQKO-UHFFFAOYSA-N
MW485.46 g/mol
LogP3.76
Rot. Bonds11

About N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide

N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide (PubChem CID 175270384) has the molecular formula C23H26F3NO7 and a molecular weight of 485.46 g/mol. Its IUPAC name is N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide
PubChem CID175270384
Molecular FormulaC23H26F3NO7
Molecular Weight485.46 g/mol
Exact Mass485.17
IUPAC NameN-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide
SMILESCCON(CCOC)C(=O)Cc1c(CC)c(O)cc(O)c1C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H26F3NO7/c1-4-16-17(12-20(30)27(33-5-2)10-11-32-3)21(19(29)13-18(16)28)22(31)14-6-8-15(9-7-14)34-23(24,25)26/h6-9,13,28-29H,4-5,10-12H2,1-3H3
InChIKeyLIPDWOBLYBVQKO-UHFFFAOYSA-N
XLogP3.76
TPSA105.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
CID 11529918
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
(4-chlorophenyl)-[2-propyl-5-(trifluoromethoxy)phenyl]methanone
CID 150676491
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 2-[2-methoxyethyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]acetate
CID 71879831
butyl 4-(trifluoromethoxy)benzoate
CID 113220950

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide (CID 175270384) is N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide is CCON(CCOC)C(=O)Cc1c(CC)c(O)cc(O)c1C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is LIPDWOBLYBVQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO7/c1-4-16-17(12-20(30)27(33-5-2)10-11-32-3)21(19(29)13-18(16)28)22(31)14-6-8-15(9-7-14)34-23(24,25)26/h6-9,13,28-29H,4-5,10-12H2,1-3H3.
What are the key properties of N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide?
N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 485.46 g/mol, XLogP of 3.76, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 175270384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).