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

C14H21FN2O — CID 115157410

IUPAC4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(CN)CC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-14(2,10-16)9-13(18)17-8-7-11-3-5-12(15)6-4-11/h3-6H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyGLJKSTMHLHVIJX-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.86
Rot. Bonds6

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

4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 115157410) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID115157410
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(CN)CC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-14(2,10-16)9-13(18)17-8-7-11-3-5-12(15)6-4-11/h3-6H,7-10,16H2,1-2H3,(H,17,18)
InChIKeyGLJKSTMHLHVIJX-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 113270004
2,2-diethyl-4-[2-(4-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 43397364
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7500839
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
3-amino-N-[2-(4-fluorophenyl)ethyl]-2,2,3-trimethylbutanamide
CID 65265022
3-(2-aminoethoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 112738957
N-[2-(4-fluorophenyl)ethyl]-2,2-dimethylbutanamide
CID 132962553
2-[acetyl(tert-butyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113166097
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
1-(2,2-dimethylpropyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 110754997
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide (CID 115157410) is 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide is CC(C)(CN)CC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is GLJKSTMHLHVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-14(2,10-16)9-13(18)17-8-7-11-3-5-12(15)6-4-11/h3-6H,7-10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 115157410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).