[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate

C20H37NO3 — CID 171651399

IUPAC[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(22)17-24-20(23)18(2)3/h2,4-17H2,1,3H3,(H,21,22)
InChIKeyLAJOXJFTAIPASN-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.92
Rot. Bonds16

About [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate

[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate (PubChem CID 171651399) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate
PubChem CID171651399
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(22)17-24-20(23)18(2)3/h2,4-17H2,1,3H3,(H,21,22)
InChIKeyLAJOXJFTAIPASN-UHFFFAOYSA-N
XLogP4.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(pentadecylamino)ethyl] acetate
CID 11088732
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
N-icosyl-2-methylprop-2-enamide
CID 22336363
2-methoxy-N-nonylacetamide
CID 86922058
2-methyl-N-[3-(octadecylamino)-3-oxopropyl]prop-2-enamide
CID 176871830
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
2-[[(Z)-octadec-9-enoyl]amino]ethyl 2-methylprop-2-enoate
CID 132559697

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate (CID 171651399) is [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate?
The InChIKey is LAJOXJFTAIPASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(22)17-24-20(23)18(2)3/h2,4-17H2,1,3H3,(H,21,22).
What are the key properties of [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate?
[2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate has a molecular weight of 339.52 g/mol, XLogP of 4.92, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(tetradecylamino)ethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 171651399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).