[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate

C16H23NO5 — CID 2590405

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
SMILESCCC(CC)NC(=O)COC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H23NO5/c1-4-12(5-2)17-15(18)10-22-16(19)11-21-14-8-6-13(20-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeySTKPUPYTFQBGKX-UHFFFAOYSA-N
MW309.36 g/mol
LogP1.92
Rot. Bonds9

About [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate

[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 2590405) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID2590405
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
SMILESCCC(CC)NC(=O)COC(=O)COc1ccc(OC)cc1
InChIInChI=1S/C16H23NO5/c1-4-12(5-2)17-15(18)10-22-16(19)11-21-14-8-6-13(20-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeySTKPUPYTFQBGKX-UHFFFAOYSA-N
XLogP1.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
[2-(benzhydrylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592473
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
methyl (2R,3S)-2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-3-methylpentanoate
CID 9229423
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 8520907
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717
2-[(4-methoxyphenyl)methylamino]-N-pentan-3-ylacetamide
CID 60673041
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate (CID 2590405) is [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate is CCC(CC)NC(=O)COC(=O)COc1ccc(OC)cc1.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is STKPUPYTFQBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-12(5-2)17-15(18)10-22-16(19)11-21-14-8-6-13(20-3)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 309.36 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 2590405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).