2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride

C17H34ClNO3 — CID 175286908

IUPAC2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride
SMILESC=CC(=O)OCCOC(C)NCCCCCCCCCC.Cl
InChIInChI=1S/C17H33NO3.ClH/c1-4-6-7-8-9-10-11-12-13-18-16(3)20-14-15-21-17(19)5-2;/h5,16,18H,2,4,6-15H2,1,3H3;1H
InChIKeyVZAXDNLUUIGGBA-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.23
Rot. Bonds15

About 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride

2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride (PubChem CID 175286908) has the molecular formula C17H34ClNO3 and a molecular weight of 335.92 g/mol. Its IUPAC name is 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride.

Molecular Properties

Compound Name2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride
PubChem CID175286908
Molecular FormulaC17H34ClNO3
Molecular Weight335.92 g/mol
Exact Mass335.22
IUPAC Name2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride
SMILESC=CC(=O)OCCOC(C)NCCCCCCCCCC.Cl
InChIInChI=1S/C17H33NO3.ClH/c1-4-6-7-8-9-10-11-12-13-18-16(3)20-14-15-21-17(19)5-2;/h5,16,18H,2,4,6-15H2,1,3H3;1H
InChIKeyVZAXDNLUUIGGBA-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
3-(butan-2-ylamino)propyl prop-2-enoate
CID 54483162

Frequently Asked Questions

What is the IUPAC name of 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride?
The IUPAC name of 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride (CID 175286908) is 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride.
What is the SMILES notation for 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride?
The canonical SMILES for 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride is C=CC(=O)OCCOC(C)NCCCCCCCCCC.Cl.
What is the InChIKey of 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride?
The InChIKey is VZAXDNLUUIGGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3.ClH/c1-4-6-7-8-9-10-11-12-13-18-16(3)20-14-15-21-17(19)5-2;/h5,16,18H,2,4,6-15H2,1,3H3;1H.
What are the key properties of 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride?
2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride has a molecular weight of 335.92 g/mol, XLogP of 4.23, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(decylamino)ethoxy]ethyl prop-2-enoate;hydrochloride is sourced from PubChem (CID 175286908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).