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

C14H21FN2O — CID 79814759

IUPAC2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17-10(3)11-7-6-8-12(15)9-11/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyBNCZEVSPHFBYDB-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.52
Rot. Bonds5

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

2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide (PubChem CID 79814759) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
PubChem CID79814759
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17-10(3)11-7-6-8-12(15)9-11/h6-10H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyBNCZEVSPHFBYDB-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
2-amino-N-[1-(3-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62488779
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 81366459
4-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 81366180
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
(2R)-2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81364932
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365596

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide (CID 79814759) is 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide is CCC(N)(CC)C(=O)NC(C)c1cccc(F)c1.
What is the InChIKey of 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide?
The InChIKey is BNCZEVSPHFBYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-14(16,5-2)13(18)17-10(3)11-7-6-8-12(15)9-11/h6-10H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide?
2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 79814759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).