N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide

C14H22FN3O2 — CID 81053508

IUPACN-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
SMILESCCOCCN(C)CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H22FN3O2/c1-3-20-9-8-18(2)7-6-14(19)17-11-4-5-12(15)13(16)10-11/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19)
InChIKeyYAFQAMLCYJVYBF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.70
Rot. Bonds8

About N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide

N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide (PubChem CID 81053508) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
PubChem CID81053508
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide
SMILESCCOCCN(C)CCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H22FN3O2/c1-3-20-9-8-18(2)7-6-14(19)17-11-4-5-12(15)13(16)10-11/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19)
InChIKeyYAFQAMLCYJVYBF-UHFFFAOYSA-N
XLogP1.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
N-(3-amino-4-fluorophenyl)-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 61450388
N-(3-amino-4-fluorophenyl)-3-(dipropylamino)propanamide
CID 16779657
N-(3-amino-4-fluorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695284
N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879526
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-fluorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295364
N-(3-amino-4-fluorophenyl)-3-butan-2-yloxypropanamide
CID 54943572

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide (CID 81053508) is N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide is CCOCCN(C)CCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide?
The InChIKey is YAFQAMLCYJVYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-3-20-9-8-18(2)7-6-14(19)17-11-4-5-12(15)13(16)10-11/h4-5,10H,3,6-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide?
N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide has a molecular weight of 283.35 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-[2-ethoxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 81053508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).