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

C16H23FN2O2 — CID 113166097

IUPAC2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H23FN2O2/c1-12(20)19(16(2,3)4)11-15(21)18-10-9-13-5-7-14(17)8-6-13/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyNKBOGHQIMJDWTI-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.13
Rot. Bonds5

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

2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 113166097) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID113166097
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H23FN2O2/c1-12(20)19(16(2,3)4)11-15(21)18-10-9-13-5-7-14(17)8-6-13/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyNKBOGHQIMJDWTI-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(tert-butyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113166096
N-[2-(4-fluorophenyl)ethyl]-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334683
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91838890
2-(N-acetyl-2,3-dimethylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113168862
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113160229
methyl 2-[acetyl-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176078

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 113166097) is 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NKBOGHQIMJDWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-12(20)19(16(2,3)4)11-15(21)18-10-9-13-5-7-14(17)8-6-13/h5-8H,9-11H2,1-4H3,(H,18,21).
What are the key properties of 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113166097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).