[2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate

C15H17NO3 — CID 14033041

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyKIBXYDHXHWRNTP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds7

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate (PubChem CID 14033041) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate
PubChem CID14033041
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C15H17NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h3-9H,1-2,10-12H2
InChIKeyKIBXYDHXHWRNTP-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate (CID 14033041) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate is C=CCN(CC=C)C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate?
The InChIKey is KIBXYDHXHWRNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-10-16(11-4-2)14(17)12-19-15(18)13-8-6-5-7-9-13/h3-9H,1-2,10-12H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate has a molecular weight of 259.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] benzoate is sourced from PubChem (CID 14033041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).