4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide

C20H24FNO3 — CID 110308819

IUPAC4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3/c1-22(14-19(23)16-8-12-18(25-2)13-9-16)20(24)5-3-4-15-6-10-17(21)11-7-15/h6-13,19,23H,3-5,14H2,1-2H3
InChIKeyPHCTXBFSSIYTHQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.35
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide

4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 110308819) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID110308819
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO3/c1-22(14-19(23)16-8-12-18(25-2)13-9-16)20(24)5-3-4-15-6-10-17(21)11-7-15/h6-13,19,23H,3-5,14H2,1-2H3
InChIKeyPHCTXBFSSIYTHQ-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 110308817
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
CID 110308820
4-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110291134
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide (CID 110308819) is 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide is COc1ccc(C(O)CN(C)C(=O)CCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is PHCTXBFSSIYTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-22(14-19(23)16-8-12-18(25-2)13-9-16)20(24)5-3-4-15-6-10-17(21)11-7-15/h6-13,19,23H,3-5,14H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide?
4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 345.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 110308819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).