4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide

C20H28N2O4 — CID 166257099

IUPAC4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC2(CC(N)=O)CCCCC2)cc1
InChIInChI=1S/C20H28N2O4/c1-15(23)16-7-9-17(10-8-16)26-13-5-6-19(25)22-20(14-18(21)24)11-3-2-4-12-20/h7-10H,2-6,11-14H2,1H3,(H2,21,24)(H,22,25)
InChIKeyHHRQLADKDBJNAN-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.74
Rot. Bonds9

About 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide

4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide (PubChem CID 166257099) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide
PubChem CID166257099
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NC2(CC(N)=O)CCCCC2)cc1
InChIInChI=1S/C20H28N2O4/c1-15(23)16-7-9-17(10-8-16)26-13-5-6-19(25)22-20(14-18(21)24)11-3-2-4-12-20/h7-10H,2-6,11-14H2,1H3,(H2,21,24)(H,22,25)
InChIKeyHHRQLADKDBJNAN-UHFFFAOYSA-N
XLogP2.74
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide with MolForge

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Related Compounds

2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
1-[4-(3-acetylphenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119113838
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574
methyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7741287
4-(4-acetylphenoxy)-N-[3-(aminomethyl)pentan-3-yl]butanamide;hydrochloride
CID 119569106
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
butyl 4-[4-(4-acetylphenoxy)butanoylamino]benzoate
CID 7926976
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
4-(4-acetylphenoxy)-N-(4-methylsulfanylphenyl)butanamide
CID 27364869
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide (CID 166257099) is 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide is CC(=O)c1ccc(OCCCC(=O)NC2(CC(N)=O)CCCCC2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide?
The InChIKey is HHRQLADKDBJNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15(23)16-7-9-17(10-8-16)26-13-5-6-19(25)22-20(14-18(21)24)11-3-2-4-12-20/h7-10H,2-6,11-14H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide?
4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide has a molecular weight of 360.45 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide is sourced from PubChem (CID 166257099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).