2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide

C13H19FN2O2 — CID 114872011

IUPAC2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
SMILESCCC(NCCOC)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-13(12(15)17,16-7-8-18-2)10-5-4-6-11(14)9-10/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyDLWVRWMEFVNJCI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.15
Rot. Bonds7

About 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide

2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide (PubChem CID 114872011) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
PubChem CID114872011
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide
SMILESCCC(NCCOC)(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-3-13(12(15)17,16-7-8-18-2)10-5-4-6-11(14)9-10/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyDLWVRWMEFVNJCI-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-2-(methylamino)butanamide
CID 114871926
2-(3-azidopropylamino)-2-(3-fluorophenyl)butanamide
CID 114872028
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877
2-(cycloheptylamino)-2-(3-fluorophenyl)butanamide
CID 114871995
2-ethyl-2-(3-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 62596985
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
2-(3-fluorophenyl)-2-(2-methylpropylamino)butanoic acid
CID 114871982
2-(benzylamino)-2-(3-fluorophenyl)butanoic acid
CID 114871957
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991
diethyl 2-ethyl-2-(3-fluorophenyl)propanedioate
CID 103973181

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide (CID 114872011) is 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide is CCC(NCCOC)(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide?
The InChIKey is DLWVRWMEFVNJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-13(12(15)17,16-7-8-18-2)10-5-4-6-11(14)9-10/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide?
2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide has a molecular weight of 254.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(2-methoxyethylamino)butanamide is sourced from PubChem (CID 114872011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).