2-(decylcarbamoyloxy)ethyl prop-2-enoate

C16H29NO4 — CID 122555467

IUPAC2-(decylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-11-12-17-16(19)21-14-13-20-15(18)4-2/h4H,2-3,5-14H2,1H3,(H,17,19)
InChIKeyVLLAFDVOCMXZIB-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.58
Rot. Bonds13

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

2-(decylcarbamoyloxy)ethyl prop-2-enoate (PubChem CID 122555467) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(decylcarbamoyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(decylcarbamoyloxy)ethyl prop-2-enoate
PubChem CID122555467
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-(decylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-11-12-17-16(19)21-14-13-20-15(18)4-2/h4H,2-3,5-14H2,1H3,(H,17,19)
InChIKeyVLLAFDVOCMXZIB-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.58
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-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
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
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
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-(decylcarbamoyloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(decylcarbamoyloxy)ethyl prop-2-enoate (CID 122555467) is 2-(decylcarbamoyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(decylcarbamoyloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(decylcarbamoyloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)NCCCCCCCCCC.
What is the InChIKey of 2-(decylcarbamoyloxy)ethyl prop-2-enoate?
The InChIKey is VLLAFDVOCMXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-11-12-17-16(19)21-14-13-20-15(18)4-2/h4H,2-3,5-14H2,1H3,(H,17,19).
What are the key properties of 2-(decylcarbamoyloxy)ethyl prop-2-enoate?
2-(decylcarbamoyloxy)ethyl prop-2-enoate has a molecular weight of 299.41 g/mol, XLogP of 3.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylcarbamoyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 122555467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).