3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide

C13H19FN2O2 — CID 115154887

IUPAC3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)(C)N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-13(2,15)8-12(17)16(3)9-5-6-11(18-4)10(14)7-9/h5-7H,8,15H2,1-4H3
InChIKeyHTQOYYJZTHGALT-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide

3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide (PubChem CID 115154887) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
PubChem CID115154887
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)(C)N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-13(2,15)8-12(17)16(3)9-5-6-11(18-4)10(14)7-9/h5-7H,8,15H2,1-4H3
InChIKeyHTQOYYJZTHGALT-UHFFFAOYSA-N
XLogP1.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 139020691
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
ethyl 3-amino-3-(3-fluoro-4-methoxyphenyl)butanoate
CID 79849313
N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
CID 21025600
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide (CID 115154887) is 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide is COc1ccc(N(C)C(=O)CC(C)(C)N)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide?
The InChIKey is HTQOYYJZTHGALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-13(2,15)8-12(17)16(3)9-5-6-11(18-4)10(14)7-9/h5-7H,8,15H2,1-4H3.
What are the key properties of 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide?
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide has a molecular weight of 254.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115154887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).