[2-oxo-2-(pentadecylamino)ethyl] acetate

C19H37NO3 — CID 11088732

IUPAC[2-oxo-2-(pentadecylamino)ethyl] acetate
SMILESCCCCCCCCCCCCCCCNC(=O)COC(C)=O
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(22)17-23-18(2)21/h3-17H2,1-2H3,(H,20,22)
InChIKeyRUIAOXVTSUSVJG-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.76
Rot. Bonds16

About [2-oxo-2-(pentadecylamino)ethyl] acetate

[2-oxo-2-(pentadecylamino)ethyl] acetate (PubChem CID 11088732) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is [2-oxo-2-(pentadecylamino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-(pentadecylamino)ethyl] acetate
PubChem CID11088732
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name[2-oxo-2-(pentadecylamino)ethyl] acetate
SMILESCCCCCCCCCCCCCCCNC(=O)COC(C)=O
InChIInChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(22)17-23-18(2)21/h3-17H2,1-2H3,(H,20,22)
InChIKeyRUIAOXVTSUSVJG-UHFFFAOYSA-N
XLogP4.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate
CID 171651399
2-methoxy-N-nonylacetamide
CID 86922058
N-hexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605068
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
[(2S)-2-methyl-6-oxo-6-(tricosylamino)hexyl] acetate
CID 58668231
[2-[[(Z)-octadec-9-enyl]amino]-2-oxoethyl] 2-hydroxyacetate
CID 87207736
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(9-aminononyl)nonanamide
CID 154091260
2-chloro-N-dotriacontylacetamide
CID 163206961
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentadecylamino)ethyl] acetate?
The IUPAC name of [2-oxo-2-(pentadecylamino)ethyl] acetate (CID 11088732) is [2-oxo-2-(pentadecylamino)ethyl] acetate.
What is the SMILES notation for [2-oxo-2-(pentadecylamino)ethyl] acetate?
The canonical SMILES for [2-oxo-2-(pentadecylamino)ethyl] acetate is CCCCCCCCCCCCCCCNC(=O)COC(C)=O.
What is the InChIKey of [2-oxo-2-(pentadecylamino)ethyl] acetate?
The InChIKey is RUIAOXVTSUSVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-19(22)17-23-18(2)21/h3-17H2,1-2H3,(H,20,22).
What are the key properties of [2-oxo-2-(pentadecylamino)ethyl] acetate?
[2-oxo-2-(pentadecylamino)ethyl] acetate has a molecular weight of 327.51 g/mol, XLogP of 4.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentadecylamino)ethyl] acetate is sourced from PubChem (CID 11088732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).