methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate

C14H15NO3 — CID 14161097

IUPACmethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate
SMILESC=CCN(C(=C)C(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-4-10-15(11(2)14(17)18-3)13(16)12-8-6-5-7-9-12/h4-9H,1-2,10H2,3H3
InChIKeyULJKDIVSHAVKPW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds5

About methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate

methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate (PubChem CID 14161097) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate
PubChem CID14161097
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate
SMILESC=CCN(C(=C)C(=O)OC)C(=O)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-4-10-15(11(2)14(17)18-3)13(16)12-8-6-5-7-9-12/h4-9H,1-2,10H2,3H3
InChIKeyULJKDIVSHAVKPW-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
The IUPAC name of methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate (CID 14161097) is methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate is C=CCN(C(=C)C(=O)OC)C(=O)c1ccccc1.
What is the InChIKey of methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
The InChIKey is ULJKDIVSHAVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-10-15(11(2)14(17)18-3)13(16)12-8-6-5-7-9-12/h4-9H,1-2,10H2,3H3.
What are the key properties of methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate?
methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate has a molecular weight of 245.28 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzoyl(prop-2-enyl)amino]prop-2-enoate is sourced from PubChem (CID 14161097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).