3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide

C16H25FN2O — CID 65269320

IUPAC3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H25FN2O/c1-11(12-7-9-13(17)10-8-12)19(6)14(20)15(2,3)16(4,5)18/h7-11H,18H2,1-6H3
InChIKeySWUBKAWIAPKUDI-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide

3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide (PubChem CID 65269320) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
PubChem CID65269320
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H25FN2O/c1-11(12-7-9-13(17)10-8-12)19(6)14(20)15(2,3)16(4,5)18/h7-11H,18H2,1-6H3
InChIKeySWUBKAWIAPKUDI-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
CID 115432049
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 111334205
N-[1-(4-fluorophenyl)ethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 51267088
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
CID 70937709

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide?
The IUPAC name of 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide (CID 65269320) is 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide?
The canonical SMILES for 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide is CC(c1ccc(F)cc1)N(C)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide?
The InChIKey is SWUBKAWIAPKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(12-7-9-13(17)10-8-12)19(6)14(20)15(2,3)16(4,5)18/h7-11H,18H2,1-6H3.
What are the key properties of 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide?
3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide has a molecular weight of 280.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide is sourced from PubChem (CID 65269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).