5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide

C14H21FN2O2 — CID 62934355

IUPAC5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
SMILESCOc1ccc(C(N)CC(C)(C)CC(N)=O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,8-13(17)18)7-11(16)9-4-5-12(19-3)10(15)6-9/h4-6,11H,7-8,16H2,1-3H3,(H2,17,18)
InChIKeyMGPKFKSIEZFSSM-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.13
Rot. Bonds6

About 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide

5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide (PubChem CID 62934355) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide.

Molecular Properties

Compound Name5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
PubChem CID62934355
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
SMILESCOc1ccc(C(N)CC(C)(C)CC(N)=O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-14(2,8-13(17)18)7-11(16)9-4-5-12(19-3)10(15)6-9/h4-6,11H,7-8,16H2,1-3H3,(H2,17,18)
InChIKeyMGPKFKSIEZFSSM-UHFFFAOYSA-N
XLogP2.13
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
5-amino-5-(3-bromo-4-fluorophenyl)-3,3-dimethylpentanamide
CID 79735685
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
2-(3,3-dimethylbutoxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107523803
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide?
The IUPAC name of 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide (CID 62934355) is 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide.
What is the SMILES notation for 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide?
The canonical SMILES for 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide is COc1ccc(C(N)CC(C)(C)CC(N)=O)cc1F.
What is the InChIKey of 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide?
The InChIKey is MGPKFKSIEZFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,8-13(17)18)7-11(16)9-4-5-12(19-3)10(15)6-9/h4-6,11H,7-8,16H2,1-3H3,(H2,17,18).
What are the key properties of 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide?
5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide is sourced from PubChem (CID 62934355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).