2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide

C14H21FN2O3 — CID 119778135

IUPAC2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H21FN2O3/c1-5-6-14(2,16)13(18)17-10-8-12(20-4)11(19-3)7-9(10)15/h7-8H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyQUUPFEZTWUWDFV-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.30
Rot. Bonds6

About 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide

2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide (PubChem CID 119778135) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
PubChem CID119778135
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H21FN2O3/c1-5-6-14(2,16)13(18)17-10-8-12(20-4)11(19-3)7-9(10)15/h7-8H,5-6,16H2,1-4H3,(H,17,18)
InChIKeyQUUPFEZTWUWDFV-UHFFFAOYSA-N
XLogP2.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylpentanamide
CID 102853754
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2-[(2-amino-2-methylpentanoyl)amino]-4,5-difluorobenzoic acid
CID 62866091
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
2-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-2-methylpentanamide
CID 119751481
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide
CID 102695178
2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
CID 116557002
2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
2-amino-N-(3,5-difluoro-4-iodophenyl)-2-methylpentanamide;hydrochloride
CID 119764617

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide (CID 119778135) is 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide?
The InChIKey is QUUPFEZTWUWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-5-6-14(2,16)13(18)17-10-8-12(20-4)11(19-3)7-9(10)15/h7-8H,5-6,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide?
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide has a molecular weight of 284.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 119778135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).