[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate

C15H20N2O4 — CID 63098891

IUPAC[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c16-12-3-1-11(2-4-12)9-15(19)21-10-14(18)17-13-5-7-20-8-6-13/h1-4,13H,5-10,16H2,(H,17,18)
InChIKeyBHSZXLVEUYKTFV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.65
Rot. Bonds5

About [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate

[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate (PubChem CID 63098891) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
PubChem CID63098891
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c16-12-3-1-11(2-4-12)9-15(19)21-10-14(18)17-13-5-7-20-8-6-13/h1-4,13H,5-10,16H2,(H,17,18)
InChIKeyBHSZXLVEUYKTFV-UHFFFAOYSA-N
XLogP0.65
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
oxan-4-yl 2-(4-aminophenyl)acetate
CID 61286946
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
[2-(oxan-4-ylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 63099389
2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
CID 63098200
ethyl 4-[[2-(4-aminophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 119738178
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(oxan-4-yl)acetamide
CID 77001460
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734
[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 63099562
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500
(2-anilino-2-oxoethyl) 2-(4-aminophenyl)acetate
CID 61320739

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate?
The IUPAC name of [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate (CID 63098891) is [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate.
What is the SMILES notation for [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate?
The canonical SMILES for [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCC(=O)NC2CCOCC2)cc1.
What is the InChIKey of [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate?
The InChIKey is BHSZXLVEUYKTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-12-3-1-11(2-4-12)9-15(19)21-10-14(18)17-13-5-7-20-8-6-13/h1-4,13H,5-10,16H2,(H,17,18).
What are the key properties of [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate?
[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate has a molecular weight of 292.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate is sourced from PubChem (CID 63098891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).