2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate

C20H37NO4 — CID 171651397

IUPAC2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C20H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-20(23)25-18-17-24-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,23)
InChIKeyNHTBCSIFPPWKDG-UHFFFAOYSA-N
MW355.52 g/mol
LogP5.14
Rot. Bonds17

About 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate

2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate (PubChem CID 171651397) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
PubChem CID171651397
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCCCCCCCCCCCC
InChIInChI=1S/C20H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-20(23)25-18-17-24-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,23)
InChIKeyNHTBCSIFPPWKDG-UHFFFAOYSA-N
XLogP5.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
3-[6-(3-prop-2-enoyloxypropoxycarbonylamino)hexylcarbamoyloxy]propyl prop-2-enoate
CID 58975893
2-[3-(2-prop-2-enoyloxyethoxycarbonylamino)propylcarbamoyloxy]ethyl prop-2-enoate
CID 87915817
5-(ethoxycarbonylamino)pentyl prop-2-enoate
CID 118485730
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
2-(butylcarbamoyloxy)ethyl prop-2-enoate;N-methylmethanamine;2-methyl-N-propylprop-2-enamide
CID 90146010

Frequently Asked Questions

What is the IUPAC name of 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate (CID 171651397) is 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)NCCCCCCCCCCCCCC.
What is the InChIKey of 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate?
The InChIKey is NHTBCSIFPPWKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-20(23)25-18-17-24-19(22)4-2/h4H,2-3,5-18H2,1H3,(H,21,23).
What are the key properties of 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate?
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate has a molecular weight of 355.52 g/mol, XLogP of 5.14, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 171651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).