N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

C20H24FNO3 — CID 133239810

IUPACN-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-14(2)18-6-4-5-7-19(18)25-15(3)20(23)22-12-13-24-17-10-8-16(21)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyQYUCOPNOSRRCKZ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.91
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide

N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 133239810) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID133239810
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccccc1C(C)C)C(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-14(2)18-6-4-5-7-19(18)25-15(3)20(23)22-12-13-24-17-10-8-16(21)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23)
InChIKeyQYUCOPNOSRRCKZ-UHFFFAOYSA-N
XLogP3.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.91
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-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94018489
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-(3-chlorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide
CID 133165269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 133239810) is N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is CC(Oc1ccccc1C(C)C)C(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is QYUCOPNOSRRCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14(2)18-6-4-5-7-19(18)25-15(3)20(23)22-12-13-24-17-10-8-16(21)9-11-17/h4-11,14-15H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide?
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 345.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 133239810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).