N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide

C23H25FN2O — CID 70111768

IUPACN-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide
SMILESCC(=O)N(CCc1ccc(C(C)(C)C)cc1)c1ccnc2c(F)cccc12
InChIInChI=1S/C23H25FN2O/c1-16(27)26(15-13-17-8-10-18(11-9-17)23(2,3)4)21-12-14-25-22-19(21)6-5-7-20(22)24/h5-12,14H,13,15H2,1-4H3
InChIKeyNTWFBUCTWYEEBY-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.27
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide

N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide (PubChem CID 70111768) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide
PubChem CID70111768
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide
SMILESCC(=O)N(CCc1ccc(C(C)(C)C)cc1)c1ccnc2c(F)cccc12
InChIInChI=1S/C23H25FN2O/c1-16(27)26(15-13-17-8-10-18(11-9-17)23(2,3)4)21-12-14-25-22-19(21)6-5-7-20(22)24/h5-12,14H,13,15H2,1-4H3
InChIKeyNTWFBUCTWYEEBY-UHFFFAOYSA-N
XLogP5.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide (CID 70111768) is N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide is CC(=O)N(CCc1ccc(C(C)(C)C)cc1)c1ccnc2c(F)cccc12.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide?
The InChIKey is NTWFBUCTWYEEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-16(27)26(15-13-17-8-10-18(11-9-17)23(2,3)4)21-12-14-25-22-19(21)6-5-7-20(22)24/h5-12,14H,13,15H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide?
N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide has a molecular weight of 364.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-N-(8-fluoroquinolin-4-yl)acetamide is sourced from PubChem (CID 70111768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).