3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide

C23H29FN2O2 — CID 113121149

IUPAC3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c1-17(27)26(15-13-18-5-9-20(24)10-6-18)16-14-22(28)25-21-11-7-19(8-12-21)23(2,3)4/h5-12H,13-16H2,1-4H3,(H,25,28)
InChIKeyQVBZXYYMIYEBJI-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.54
Rot. Bonds7

About 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide

3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide (PubChem CID 113121149) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
PubChem CID113121149
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)CCc1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c1-17(27)26(15-13-18-5-9-20(24)10-6-18)16-14-22(28)25-21-11-7-19(8-12-21)23(2,3)4/h5-12H,13-16H2,1-4H3,(H,25,28)
InChIKeyQVBZXYYMIYEBJI-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113164436
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-ethylphenyl)acetamide
CID 113164399
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 113121058
3-[(4-tert-butylphenyl)methylsulfinyl]-N-(4-fluorophenyl)propanamide
CID 47087807
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164445

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide (CID 113121149) is 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)(C)C)cc1)CCc1ccc(F)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide?
The InChIKey is QVBZXYYMIYEBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-17(27)26(15-13-18-5-9-20(24)10-6-18)16-14-22(28)25-21-11-7-19(8-12-21)23(2,3)4/h5-12H,13-16H2,1-4H3,(H,25,28).
What are the key properties of 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide?
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 113121149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).