2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate

C15H25NO4 — CID 140686718

IUPAC2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
SMILESC=CCOCCN(CCOCC=C)CCOC(=O)C=C
InChIInChI=1S/C15H25NO4/c1-4-10-18-12-7-16(8-13-19-11-5-2)9-14-20-15(17)6-3/h4-6H,1-3,7-14H2
InChIKeyLQUMAJXLULSBSJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.42
Rot. Bonds14

About 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate

2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate (PubChem CID 140686718) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
PubChem CID140686718
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
SMILESC=CCOCCN(CCOCC=C)CCOC(=O)C=C
InChIInChI=1S/C15H25NO4/c1-4-10-18-12-7-16(8-13-19-11-5-2)9-14-20-15(17)6-3/h4-6H,1-3,7-14H2
InChIKeyLQUMAJXLULSBSJ-UHFFFAOYSA-N
XLogP1.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[bis(ethenyl)amino]ethyl prop-2-enoate
CID 87899384
2-(dihexylamino)ethyl prop-2-enoate
CID 54463333
2-[bis(4-methylpentyl)amino]ethyl prop-2-enoate
CID 54081174
[4-[2-[bis[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethyl]amino]ethoxy]-3-hydroxybutyl] prop-2-enoate
CID 91325660
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
2-prop-2-enoxyethyl 4-prop-2-enoyloxybutanoate
CID 161381501
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-bromo-N,N-bis(2-prop-2-enoxyethyl)propan-1-amine
CID 88935019
2-[2-[2-[(Z)-3-methyl-4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]but-2-enoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 22961517
methane;prop-2-enyl prop-2-enoate
CID 87568259
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate (CID 140686718) is 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate is C=CCOCCN(CCOCC=C)CCOC(=O)C=C.
What is the InChIKey of 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate?
The InChIKey is LQUMAJXLULSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-10-18-12-7-16(8-13-19-11-5-2)9-14-20-15(17)6-3/h4-6H,1-3,7-14H2.
What are the key properties of 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate?
2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate has a molecular weight of 283.37 g/mol, XLogP of 1.42, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 140686718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).