2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid

C19H25NO6 — CID 119214907

IUPAC2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
SMILESCC(=O)c1ccc(OCCCC(=O)NC2(CC(=O)O)CCOCC2)cc1
InChIInChI=1S/C19H25NO6/c1-14(21)15-4-6-16(7-5-15)26-10-2-3-17(22)20-19(13-18(23)24)8-11-25-12-9-19/h4-7H,2-3,8-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyZGAFRXOPCFLDEN-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.19
Rot. Bonds9

About 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid

2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid (PubChem CID 119214907) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
PubChem CID119214907
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Name2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
SMILESCC(=O)c1ccc(OCCCC(=O)NC2(CC(=O)O)CCOCC2)cc1
InChIInChI=1S/C19H25NO6/c1-14(21)15-4-6-16(7-5-15)26-10-2-3-17(22)20-19(13-18(23)24)8-11-25-12-9-19/h4-7H,2-3,8-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyZGAFRXOPCFLDEN-UHFFFAOYSA-N
XLogP2.19
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-[1-(2-amino-2-oxoethyl)cyclohexyl]butanamide
CID 166257099
2-[4-[4-(2-methylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119215592
2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
CID 119214832
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
2-[4-[3-(4-ethylphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 119215227
2-[4-[(4-methyl-4-phenylpentanoyl)amino]oxan-4-yl]acetic acid
CID 120521448
2-[4-[3-(naphthalene-2-carbonylamino)propanoylamino]oxan-4-yl]acetic acid
CID 119214636
3-[4-(4-acetylphenoxy)butanoylamino]-2-methylpropanoic acid
CID 119236840
2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
2-[4-[2-(3-acetylphenoxy)propanoylamino]oxan-4-yl]acetic acid
CID 119215806
1-[4-[[4-(bromomethyl)oxan-4-yl]methoxy]phenyl]ethanone
CID 65004372
N-(4-acetylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7732574

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid (CID 119214907) is 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid is CC(=O)c1ccc(OCCCC(=O)NC2(CC(=O)O)CCOCC2)cc1.
What is the InChIKey of 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid?
The InChIKey is ZGAFRXOPCFLDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-14(21)15-4-6-16(7-5-15)26-10-2-3-17(22)20-19(13-18(23)24)8-11-25-12-9-19/h4-7H,2-3,8-13H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid?
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).