2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide

C15H23FN2O — CID 76981965

IUPAC2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-10(9-11-5-7-12(16)8-6-11)18-14(19)13(17)15(2,3)4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)
InChIKeyGDUWGHNRABWKOF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 76981965) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID76981965
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)C(N)C(C)(C)C
InChIInChI=1S/C15H23FN2O/c1-10(9-11-5-7-12(16)8-6-11)18-14(19)13(17)15(2,3)4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)
InChIKeyGDUWGHNRABWKOF-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-2-methylpentanamide
CID 63008242
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981
methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 90333017
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide (CID 76981965) is 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide is CC(Cc1ccc(F)cc1)NC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is GDUWGHNRABWKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(9-11-5-7-12(16)8-6-11)18-14(19)13(17)15(2,3)4/h5-8,10,13H,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76981965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).