4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid

C19H25NO5 — CID 119229338

IUPAC4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1ccc(OCCCC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C19H25NO5/c1-13(21)14-6-10-17(11-7-14)25-12-2-3-18(22)20-16-8-4-15(5-9-16)19(23)24/h6-7,10-11,15-16H,2-5,8-9,12H2,1H3,(H,20,22)(H,23,24)
InChIKeyAWROADDKSDHMJN-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.81
Rot. Bonds8

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

4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 119229338) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
PubChem CID119229338
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
SMILESCC(=O)c1ccc(OCCCC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C19H25NO5/c1-13(21)14-6-10-17(11-7-14)25-12-2-3-18(22)20-16-8-4-15(5-9-16)19(23)24/h6-7,10-11,15-16H,2-5,8-9,12H2,1H3,(H,20,22)(H,23,24)
InChIKeyAWROADDKSDHMJN-UHFFFAOYSA-N
XLogP2.81
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(4-acetylphenoxy)butanoate
CID 7196348
4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229909
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
4-[(4-acetylphenoxy)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106497097
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
3-(4-tert-butylphenoxy)-N-cyclopropylpropanamide
CID 60631425
4-(4-fluorophenoxy)-N-piperidin-4-ylbutanamide
CID 110464778
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid (CID 119229338) is 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid is CC(=O)c1ccc(OCCCC(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is AWROADDKSDHMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-13(21)14-6-10-17(11-7-14)25-12-2-3-18(22)20-16-8-4-15(5-9-16)19(23)24/h6-7,10-11,15-16H,2-5,8-9,12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid?
4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 347.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119229338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).