[2-(nonylamino)-2-oxoethyl] prop-2-enoate

C14H25NO3 — CID 23017872

IUPAC[2-(nonylamino)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)NCCCCCCCCC
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-11-15-13(16)12-18-14(17)4-2/h4H,2-3,5-12H2,1H3,(H,15,16)
InChIKeyFIQFJXXTOWJUCD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.58
Rot. Bonds11

About [2-(nonylamino)-2-oxoethyl] prop-2-enoate

[2-(nonylamino)-2-oxoethyl] prop-2-enoate (PubChem CID 23017872) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(nonylamino)-2-oxoethyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(nonylamino)-2-oxoethyl] prop-2-enoate
PubChem CID23017872
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name[2-(nonylamino)-2-oxoethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)NCCCCCCCCC
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-11-15-13(16)12-18-14(17)4-2/h4H,2-3,5-12H2,1H3,(H,15,16)
InChIKeyFIQFJXXTOWJUCD-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.58
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'}

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Related Compounds

2-(Dodecanoylamino)ethyl prop-2-enoate
CID 101646574
[1-Oxo-1-(propylamino)propan-2-yl] prop-2-enoate
CID 19832803
N-acryloxyethylundecylamide
CID 21196858
2-(Decylamino)ethyl prop-2-enoate
CID 21488990
[2-(Ethylamino)-2-oxoethyl] prop-2-enoate
CID 22077451
[1-(Butylamino)-1-oxopropan-2-yl] prop-2-enoate
CID 54253301
(N-Butylcarbamoyl)methyl methyl (2E)but-2-ene-1,4-dioate
CID 59202068
4-O-[2-(butylamino)-2-oxoethyl] 1-O-methyl but-2-enedioate
CID 72529789
2-(Octadecanoylamino)ethyl prop-2-enoate
CID 85838031
N-octylprop-2-enamide;prop-2-enyl prop-2-enoate
CID 88095551
[1-(Ethylamino)-1-oxopentan-2-yl] prop-2-enoate
CID 88236961
2-(Octylamino)butyl prop-2-enoate
CID 88759319

Frequently Asked Questions

What is the IUPAC name of [2-(nonylamino)-2-oxoethyl] prop-2-enoate?
The IUPAC name of [2-(nonylamino)-2-oxoethyl] prop-2-enoate (CID 23017872) is [2-(nonylamino)-2-oxoethyl] prop-2-enoate.
What is the SMILES notation for [2-(nonylamino)-2-oxoethyl] prop-2-enoate?
The canonical SMILES for [2-(nonylamino)-2-oxoethyl] prop-2-enoate is C=CC(=O)OCC(=O)NCCCCCCCCC.
What is the InChIKey of [2-(nonylamino)-2-oxoethyl] prop-2-enoate?
The InChIKey is FIQFJXXTOWJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-11-15-13(16)12-18-14(17)4-2/h4H,2-3,5-12H2,1H3,(H,15,16).
What are the key properties of [2-(nonylamino)-2-oxoethyl] prop-2-enoate?
[2-(nonylamino)-2-oxoethyl] prop-2-enoate has a molecular weight of 255.36 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(nonylamino)-2-oxoethyl] prop-2-enoate is sourced from PubChem (CID 23017872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).