2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide

C14H20F2N2O2 — CID 81082530

IUPAC2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-9(10-5-6-11(15)12(16)8-10)18-14(19)13(17)4-3-7-20-2/h5-6,8-9,13H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyCHYIICDMXYLWKO-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.90
Rot. Bonds7

About 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide (PubChem CID 81082530) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
PubChem CID81082530
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2/c1-9(10-5-6-11(15)12(16)8-10)18-14(19)13(17)4-3-7-20-2/h5-6,8-9,13H,3-4,7,17H2,1-2H3,(H,18,19)
InChIKeyCHYIICDMXYLWKO-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.90
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-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-5-methoxypentanamide
CID 81083466
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
(2R)-2-amino-N-[1-(3,4-difluorophenyl)-2-methoxyethyl]propanamide
CID 120874042
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide?
The IUPAC name of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide (CID 81082530) is 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide is COCCCC(N)C(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide?
The InChIKey is CHYIICDMXYLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-9(10-5-6-11(15)12(16)8-10)18-14(19)13(17)4-3-7-20-2/h5-6,8-9,13H,3-4,7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide?
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide has a molecular weight of 286.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide is sourced from PubChem (CID 81082530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).