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

C21H26FNO3 — CID 133165278

IUPAC2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C21H26FNO3/c1-4-19(26-17-11-9-16(22)10-12-17)21(24)23-13-14-25-20-8-6-5-7-18(20)15(2)3/h5-12,15,19H,4,13-14H2,1-3H3,(H,23,24)
InChIKeyDSBJURGFZCIVPV-UHFFFAOYSA-N
MW359.44 g/mol
LogP4.30
Rot. Bonds9

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

2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide (PubChem CID 133165278) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
PubChem CID133165278
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C21H26FNO3/c1-4-19(26-17-11-9-16(22)10-12-17)21(24)23-13-14-25-20-8-6-5-7-18(20)15(2)3/h5-12,15,19H,4,13-14H2,1-3H3,(H,23,24)
InChIKeyDSBJURGFZCIVPV-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 54.30
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

N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
N-[2-(4-fluorophenoxy)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 133239810
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165284
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
(2R)-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 35343501
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-2-(4-fluorophenoxy)-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 94633905
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
2-(2-fluorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211113
2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132760693
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide (CID 133165278) is 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide is CCC(Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1C(C)C.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The InChIKey is DSBJURGFZCIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-4-19(26-17-11-9-16(22)10-12-17)21(24)23-13-14-25-20-8-6-5-7-18(20)15(2)3/h5-12,15,19H,4,13-14H2,1-3H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide has a molecular weight of 359.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133165278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).