2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid

C20H29NO5 — CID 119214832

IUPAC2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
SMILESCOc1ccc(CCCCCC(=O)NC2(CC(=O)O)CCOCC2)cc1
InChIInChI=1S/C20H29NO5/c1-25-17-9-7-16(8-10-17)5-3-2-4-6-18(22)21-20(15-19(23)24)11-13-26-14-12-20/h7-10H,2-6,11-15H2,1H3,(H,21,22)(H,23,24)
InChIKeyQYVYWCXVSREPLM-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.94
Rot. Bonds10

About 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid

2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid (PubChem CID 119214832) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
PubChem CID119214832
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid
SMILESCOc1ccc(CCCCCC(=O)NC2(CC(=O)O)CCOCC2)cc1
InChIInChI=1S/C20H29NO5/c1-25-17-9-7-16(8-10-17)5-3-2-4-6-18(22)21-20(15-19(23)24)11-13-26-14-12-20/h7-10H,2-6,11-15H2,1H3,(H,21,22)(H,23,24)
InChIKeyQYVYWCXVSREPLM-UHFFFAOYSA-N
XLogP2.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.94
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

N-[4-(bromomethyl)oxan-4-yl]-3-(4-methoxyphenyl)propanamide
CID 106304776
2-[4-[3-(4-ethylphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 119215227
2-[4-[4-(4-acetylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119214907
N-[1-(iodomethyl)cyclopropyl]-4-(4-methoxyphenyl)butanamide
CID 90297722
N-formyl-5-(4-methoxyphenyl)pentanamide
CID 164557203
2-[4-[4-(2-methylphenoxy)butanoylamino]oxan-4-yl]acetic acid
CID 119215592
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-methoxyphenoxy)acetamide
CID 104630643
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214831
2-[1-[3-(4-methoxyphenyl)sulfanylpropanoylamino]cyclobutyl]acetic acid
CID 119217418
2-[4-[3-(2-ethoxyphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 75429127

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid (CID 119214832) is 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid is COc1ccc(CCCCCC(=O)NC2(CC(=O)O)CCOCC2)cc1.
What is the InChIKey of 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid?
The InChIKey is QYVYWCXVSREPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-25-17-9-7-16(8-10-17)5-3-2-4-6-18(22)21-20(15-19(23)24)11-13-26-14-12-20/h7-10H,2-6,11-15H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid?
2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid has a molecular weight of 363.45 g/mol, XLogP of 2.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-methoxyphenyl)hexanoylamino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119214832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).