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

C14H21FN2O2 — CID 115157259

IUPAC4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)(C)CN)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,9-16)8-13(18)17(3)10-5-6-12(19-4)11(15)7-10/h5-7H,8-9,16H2,1-4H3
InChIKeyUWKIVRAIQMWEIL-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.17
Rot. Bonds5

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

4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide (PubChem CID 115157259) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
PubChem CID115157259
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)(C)CN)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,9-16)8-13(18)17(3)10-5-6-12(19-4)11(15)7-10/h5-7H,8-9,16H2,1-4H3
InChIKeyUWKIVRAIQMWEIL-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
4-amino-1-(3-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116916448
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
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
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 116603784
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
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 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide?
The IUPAC name of 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide (CID 115157259) is 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide is COc1ccc(N(C)C(=O)CC(C)(C)CN)cc1F.
What is the InChIKey of 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide?
The InChIKey is UWKIVRAIQMWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,9-16)8-13(18)17(3)10-5-6-12(19-4)11(15)7-10/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide?
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide has a molecular weight of 268.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 115157259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).