2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate

C15H19NO4 — CID 22149501

IUPAC2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-4-19-15(18)16(13-8-6-5-7-9-13)10-11-20-14(17)12(2)3/h5-9H,2,4,10-11H2,1,3H3
InChIKeyAXXQAZXSYBKUFU-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.77
Rot. Bonds6

About 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate

2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate (PubChem CID 22149501) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate
PubChem CID22149501
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-4-19-15(18)16(13-8-6-5-7-9-13)10-11-20-14(17)12(2)3/h5-9H,2,4,10-11H2,1,3H3
InChIKeyAXXQAZXSYBKUFU-UHFFFAOYSA-N
XLogP2.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate (CID 22149501) is 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C(=O)OCC)c1ccccc1.
What is the InChIKey of 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate?
The InChIKey is AXXQAZXSYBKUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-19-15(18)16(13-8-6-5-7-9-13)10-11-20-14(17)12(2)3/h5-9H,2,4,10-11H2,1,3H3.
What are the key properties of 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate?
2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate has a molecular weight of 277.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethoxycarbonylanilino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22149501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).