N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide

C19H22FNO3 — CID 55906665

IUPACN-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-2-3-13-24-18-7-5-4-6-17(18)21-19(22)12-14-23-16-10-8-15(20)9-11-16/h4-11H,2-3,12-14H2,1H3,(H,21,22)
InChIKeyVXZSPBOOZYEBQH-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.41
Rot. Bonds9

About N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide

N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide (PubChem CID 55906665) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
PubChem CID55906665
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide
SMILESCCCCOc1ccccc1NC(=O)CCOc1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-2-3-13-24-18-7-5-4-6-17(18)21-19(22)12-14-23-16-10-8-15(20)9-11-16/h4-11H,2-3,12-14H2,1H3,(H,21,22)
InChIKeyVXZSPBOOZYEBQH-UHFFFAOYSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
N-(2-ethoxyphenyl)-3-(4-fluorophenoxy)propanamide
CID 31895143
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
3-(4-fluorophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 31891666
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
N-(2-butoxyphenyl)propanamide
CID 15943029
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 86919949
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide (CID 55906665) is N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide is CCCCOc1ccccc1NC(=O)CCOc1ccc(F)cc1.
What is the InChIKey of N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide?
The InChIKey is VXZSPBOOZYEBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-2-3-13-24-18-7-5-4-6-17(18)21-19(22)12-14-23-16-10-8-15(20)9-11-16/h4-11H,2-3,12-14H2,1H3,(H,21,22).
What are the key properties of N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide?
N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide has a molecular weight of 331.39 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-3-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 55906665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).