3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide

C15H23FN2O — CID 65265022

IUPAC3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-14(2,15(3,4)17)13(19)18-10-9-11-5-7-12(16)8-6-11/h5-8H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyXPIXXKPTQMAZAN-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.25
Rot. Bonds5

About 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide

3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide (PubChem CID 65265022) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
PubChem CID65265022
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-14(2,15(3,4)17)13(19)18-10-9-11-5-7-12(16)8-6-11/h5-8H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyXPIXXKPTQMAZAN-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
3-amino-2,2,3-trimethyl-N-(3-phenylpropyl)butanamide
CID 65269650
N-[2-[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111230275
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
2-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylbutanoic acid
CID 115186267
2-(4-fluorophenyl)-2-methyl-N-(2-phenylethyl)propanamide
CID 113197365
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 115157410
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
N-[2-(4-fluorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108964180
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108960698

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide (CID 65265022) is 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide?
The InChIKey is XPIXXKPTQMAZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-14(2,15(3,4)17)13(19)18-10-9-11-5-7-12(16)8-6-11/h5-8H,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide?
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65265022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).