(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate

C16H23NO4 — CID 7147580

IUPAC(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate
SMILESCC(C)(C)c1ccc(OCCCC(=O)OCC(N)=O)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)12-6-8-13(9-7-12)20-10-4-5-15(19)21-11-14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18)
InChIKeyVVSDHSHBKYMGEC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.17
Rot. Bonds7

About (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate

(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate (PubChem CID 7147580) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate
PubChem CID7147580
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate
SMILESCC(C)(C)c1ccc(OCCCC(=O)OCC(N)=O)cc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)12-6-8-13(9-7-12)20-10-4-5-15(19)21-11-14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18)
InChIKeyVVSDHSHBKYMGEC-UHFFFAOYSA-N
XLogP2.17
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-tert-butylphenoxy)butanamide
CID 82041345
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
(4-phenylmethoxyphenyl) 4-(4-tert-butylphenoxy)butanoate
CID 19184489
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694
2-(4-butoxyphenoxy)acetamide
CID 22974475
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856024
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate (CID 7147580) is (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate is CC(C)(C)c1ccc(OCCCC(=O)OCC(N)=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate?
The InChIKey is VVSDHSHBKYMGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)12-6-8-13(9-7-12)20-10-4-5-15(19)21-11-14(17)18/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18).
What are the key properties of (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate?
(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate has a molecular weight of 293.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate is sourced from PubChem (CID 7147580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).