4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide

C20H24FNO3 — CID 86941749

IUPAC4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
SMILESCOc1cccc(CC(C)NC(=O)CCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO3/c1-15(13-16-5-3-6-19(14-16)24-2)22-20(23)7-4-12-25-18-10-8-17(21)9-11-18/h3,5-6,8-11,14-15H,4,7,12-13H2,1-2H3,(H,22,23)
InChIKeyQJPTZUIQAKAHPC-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.74
Rot. Bonds9

About 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide

4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide (PubChem CID 86941749) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
PubChem CID86941749
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
SMILESCOc1cccc(CC(C)NC(=O)CCCOc2ccc(F)cc2)c1
InChIInChI=1S/C20H24FNO3/c1-15(13-16-5-3-6-19(14-16)24-2)22-20(23)7-4-12-25-18-10-8-17(21)9-11-18/h3,5-6,8-11,14-15H,4,7,12-13H2,1-2H3,(H,22,23)
InChIKeyQJPTZUIQAKAHPC-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.74
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-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
CID 86941710
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
CID 60724668
N-butan-2-yl-4-(4-methoxyphenoxy)butanamide
CID 19175097
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
2-[4-(4-fluorophenoxy)butanoylamino]propanoic acid
CID 43355187

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide (CID 86941749) is 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide is COc1cccc(CC(C)NC(=O)CCCOc2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
The InChIKey is QJPTZUIQAKAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-15(13-16-5-3-6-19(14-16)24-2)22-20(23)7-4-12-25-18-10-8-17(21)9-11-18/h3,5-6,8-11,14-15H,4,7,12-13H2,1-2H3,(H,22,23).
What are the key properties of 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide?
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide has a molecular weight of 345.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 86941749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).