N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide

C20H24FNO3 — CID 9051513

IUPACN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCCOc2cccc(C)c2)cc1F
InChIInChI=1S/C20H24FNO3/c1-14-6-4-7-17(12-14)25-11-5-8-20(23)22-15(2)16-9-10-19(24-3)18(21)13-16/h4,6-7,9-10,12-13,15H,5,8,11H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyCUIBKUCBPHXFGZ-OAHLLOKOSA-N
MW345.41 g/mol
LogP4.18
Rot. Bonds8

About N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide

N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide (PubChem CID 9051513) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
PubChem CID9051513
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
SMILESCOc1ccc([C@@H](C)NC(=O)CCCOc2cccc(C)c2)cc1F
InChIInChI=1S/C20H24FNO3/c1-14-6-4-7-17(12-14)25-11-5-8-20(23)22-15(2)16-9-10-19(24-3)18(21)13-16/h4,6-7,9-10,12-13,15H,5,8,11H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyCUIBKUCBPHXFGZ-OAHLLOKOSA-N
XLogP4.18
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 ≤ 54.18
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-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
CID 71885691
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 46828553
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46828547
(2S,3R)-3-hydroxy-2-[4-(3-methylphenoxy)butanoylamino]butanoic acid
CID 104965093
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide (CID 9051513) is N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide is COc1ccc([C@@H](C)NC(=O)CCCOc2cccc(C)c2)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is CUIBKUCBPHXFGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14-6-4-7-17(12-14)25-11-5-8-20(23)22-15(2)16-9-10-19(24-3)18(21)13-16/h4,6-7,9-10,12-13,15H,5,8,11H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide?
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 345.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 9051513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).