[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate

C16H23NO4 — CID 71072933

IUPAC[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
SMILESCCCc1cccc(OCCCNC(=O)COC(C)=O)c1
InChIInChI=1S/C16H23NO4/c1-3-6-14-7-4-8-15(11-14)20-10-5-9-17-16(19)12-21-13(2)18/h4,7-8,11H,3,5-6,9-10,12H2,1-2H3,(H,17,19)
InChIKeyCPABUVBQKXOZFU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds9

About [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate

[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate (PubChem CID 71072933) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
PubChem CID71072933
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
SMILESCCCc1cccc(OCCCNC(=O)COC(C)=O)c1
InChIInChI=1S/C16H23NO4/c1-3-6-14-7-4-8-15(11-14)20-10-5-9-17-16(19)12-21-13(2)18/h4,7-8,11H,3,5-6,9-10,12H2,1-2H3,(H,17,19)
InChIKeyCPABUVBQKXOZFU-UHFFFAOYSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
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

[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
[2-oxo-2-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propylamino]ethyl] acetate chloride
CID 16640927
[2-[3-[3-(azepan-2-ylmethyl)phenoxy]propylamino]-2-oxoethyl] acetate
CID 54404063
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
ethane;N-methyl-2-(3-propylphenoxy)ethanamine
CID 142327682
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
(3-propylphenyl) acetate
CID 44589271
N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
CID 141361844
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate?
The IUPAC name of [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate (CID 71072933) is [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate is CCCc1cccc(OCCCNC(=O)COC(C)=O)c1.
What is the InChIKey of [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate?
The InChIKey is CPABUVBQKXOZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-6-14-7-4-8-15(11-14)20-10-5-9-17-16(19)12-21-13(2)18/h4,7-8,11H,3,5-6,9-10,12H2,1-2H3,(H,17,19).
What are the key properties of [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate?
[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate has a molecular weight of 293.36 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate is sourced from PubChem (CID 71072933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).