ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate

C18H31NO3 — CID 138969425

IUPACethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate
SMILESC=CCN(CC=C)C(=O)CCCCCCCCC(=O)OCC
InChIInChI=1S/C18H31NO3/c1-4-15-19(16-5-2)17(20)13-11-9-7-8-10-12-14-18(21)22-6-3/h4-5H,1-2,6-16H2,3H3
InChIKeyZEQUUARZDLIQSG-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.87
Rot. Bonds14

About ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate

ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate (PubChem CID 138969425) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate.

Molecular Properties

Compound Nameethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate
PubChem CID138969425
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Nameethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate
SMILESC=CCN(CC=C)C(=O)CCCCCCCCC(=O)OCC
InChIInChI=1S/C18H31NO3/c1-4-15-19(16-5-2)17(20)13-11-9-7-8-10-12-14-18(21)22-6-3/h4-5H,1-2,6-16H2,3H3
InChIKeyZEQUUARZDLIQSG-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate?
The IUPAC name of ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate (CID 138969425) is ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate.
What is the SMILES notation for ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate?
The canonical SMILES for ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate is C=CCN(CC=C)C(=O)CCCCCCCCC(=O)OCC.
What is the InChIKey of ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate?
The InChIKey is ZEQUUARZDLIQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-4-15-19(16-5-2)17(20)13-11-9-7-8-10-12-14-18(21)22-6-3/h4-5H,1-2,6-16H2,3H3.
What are the key properties of ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate?
ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate has a molecular weight of 309.45 g/mol, XLogP of 3.87, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-[bis(prop-2-enyl)amino]-10-oxodecanoate is sourced from PubChem (CID 138969425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).