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

C14H21FN2O — CID 76897375

IUPAC2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-9(10-6-5-7-11(15)8-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)
InChIKeyBLVUKXWYOOWMCP-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds3

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

2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 76897375) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID76897375
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide
SMILESCC(NC(=O)C(N)C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-9(10-6-5-7-11(15)8-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18)
InChIKeyBLVUKXWYOOWMCP-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
(2R)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 113353325
2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 76893024
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
(2R)-2-amino-N-[1-(4-tert-butylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928603
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide (CID 76897375) is 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide is CC(NC(=O)C(N)C(C)(C)C)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is BLVUKXWYOOWMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(10-6-5-7-11(15)8-10)17-13(18)12(16)14(2,3)4/h5-9,12H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide?
2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-fluorophenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 76897375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).