2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide

C23H27FN2O4 — CID 9286965

IUPAC2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1
InChIInChI=1S/C23H27FN2O4/c1-5-20(27)16-6-12-19(13-7-16)30-15-22(29)26(23(2,3)4)14-21(28)25-18-10-8-17(24)9-11-18/h6-13H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyFAZKXSHGBHNXFM-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.06
Rot. Bonds8

About 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide

2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 9286965) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID9286965
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1
InChIInChI=1S/C23H27FN2O4/c1-5-20(27)16-6-12-19(13-7-16)30-15-22(29)26(23(2,3)4)14-21(28)25-18-10-8-17(24)9-11-18/h6-13H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyFAZKXSHGBHNXFM-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
CID 9014971
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9441183
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202015
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-fluoro-N'-[2-(4-propanoylphenoxy)acetyl]benzohydrazide
CID 7946133
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344680
N-(3-methoxyphenyl)-2-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 7719005
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
N-[4-[2-(4-methylphenoxy)acetyl]phenyl]propanamide
CID 4798056
[2-(4-fluoroanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133158

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide (CID 9286965) is 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide is CCC(=O)c1ccc(OCC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is FAZKXSHGBHNXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-5-20(27)16-6-12-19(13-7-16)30-15-22(29)26(23(2,3)4)14-21(28)25-18-10-8-17(24)9-11-18/h6-13H,5,14-15H2,1-4H3,(H,25,28).
What are the key properties of 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide?
2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 414.48 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9286965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).