2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate

C23H43NO4 — CID 171651423

IUPAC2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23(26)28-21-20-27-22(25)4-2/h4H,2-3,5-21H2,1H3,(H,24,26)
InChIKeyYBXLBWMBWSRZIP-UHFFFAOYSA-N
MW397.60 g/mol
LogP6.31
Rot. Bonds20

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

2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate (PubChem CID 171651423) has the molecular formula C23H43NO4 and a molecular weight of 397.60 g/mol. Its IUPAC name is 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
PubChem CID171651423
Molecular FormulaC23H43NO4
Molecular Weight397.60 g/mol
Exact Mass397.32
IUPAC Name2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)NCCCCCCCCCCCCCCCCC
InChIInChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23(26)28-21-20-27-22(25)4-2/h4H,2-3,5-21H2,1H3,(H,24,26)
InChIKeyYBXLBWMBWSRZIP-UHFFFAOYSA-N
XLogP6.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 56.31
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-(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-(heptadecylcarbamoyloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate (CID 171651423) is 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate is C=CC(=O)OCCOC(=O)NCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate?
The InChIKey is YBXLBWMBWSRZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23(26)28-21-20-27-22(25)4-2/h4H,2-3,5-21H2,1H3,(H,24,26).
What are the key properties of 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate?
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate has a molecular weight of 397.60 g/mol, XLogP of 6.31, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate is sourced from PubChem (CID 171651423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).