1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid

C18H24FNO4 — CID 120544218

IUPAC1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCCOc1ccc(F)cc1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C18H24FNO4/c19-14-6-8-15(9-7-14)24-12-4-5-16(21)20-13-18(17(22)23)10-2-1-3-11-18/h6-9H,1-5,10-13H2,(H,20,21)(H,22,23)
InChIKeyAXQYPZBEFANPIE-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.14
Rot. Bonds8

About 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid

1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544218) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544218
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCCOc1ccc(F)cc1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C18H24FNO4/c19-14-6-8-15(9-7-14)24-12-4-5-16(21)20-13-18(17(22)23)10-2-1-3-11-18/h6-9H,1-5,10-13H2,(H,20,21)(H,22,23)
InChIKeyAXQYPZBEFANPIE-UHFFFAOYSA-N
XLogP3.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(4-bromophenoxy)butanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449683
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[4-(4-fluorophenoxy)butanoylamino]cyclobutane-1-carboxylic acid
CID 81164148
4-[[4-(4-methylsulfonylphenoxy)butanoylamino]methyl]oxane-4-carboxylic acid
CID 120543312
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 71915475
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
1-[(4-methoxybutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362249
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311970
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid (CID 120544218) is 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid is O=C(CCCOc1ccc(F)cc1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AXQYPZBEFANPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c19-14-6-8-15(9-7-14)24-12-4-5-16(21)20-13-18(17(22)23)10-2-1-3-11-18/h6-9H,1-5,10-13H2,(H,20,21)(H,22,23).
What are the key properties of 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 337.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-fluorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).