2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide

C13H19FN2O2 — CID 46444990

IUPAC2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-10(13(15)17)16(2)8-3-9-18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyHDLMZFKZXFDYLN-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.40
Rot. Bonds7

About 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide

2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide (PubChem CID 46444990) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
PubChem CID46444990
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)CCCOc1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-10(13(15)17)16(2)8-3-9-18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,15,17)
InChIKeyHDLMZFKZXFDYLN-UHFFFAOYSA-N
XLogP1.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444904
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-[3-(3-chlorophenoxy)propyl-methylamino]-2-(4-fluorophenyl)acetamide
CID 55870003
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
4-(4-fluorophenoxy)butanamide
CID 43244704
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
2-[4-(4-fluorophenoxy)butanoyl-methylamino]propanoic acid
CID 62628008
N-benzyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]propanamide
CID 74519943
(2R)-2-[3-[2-(4-fluorophenoxy)ethyl]phenoxy]propanamide
CID 97132336
3-(4-fluorophenoxy)propyl carbamate
CID 154235028

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide (CID 46444990) is 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide is CC(C(N)=O)N(C)CCCOc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
The InChIKey is HDLMZFKZXFDYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10(13(15)17)16(2)8-3-9-18-12-6-4-11(14)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide?
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide has a molecular weight of 254.31 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide is sourced from PubChem (CID 46444990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).