tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate

C15H25NO3 — CID 102018945

IUPACtert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate
SMILESC=CC(=O)N(CC(=C)C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H25NO3/c1-9-12(17)16(14(3,4)5)10-11(2)13(18)19-15(6,7)8/h9H,1-2,10H2,3-8H3
InChIKeyMYDQPTISGCKANI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate

tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate (PubChem CID 102018945) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate
PubChem CID102018945
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate
SMILESC=CC(=O)N(CC(=C)C(=O)OC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H25NO3/c1-9-12(17)16(14(3,4)5)10-11(2)13(18)19-15(6,7)8/h9H,1-2,10H2,3-8H3
InChIKeyMYDQPTISGCKANI-UHFFFAOYSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate?
The IUPAC name of tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate (CID 102018945) is tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate?
The canonical SMILES for tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate is C=CC(=O)N(CC(=C)C(=O)OC(C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate?
The InChIKey is MYDQPTISGCKANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-9-12(17)16(14(3,4)5)10-11(2)13(18)19-15(6,7)8/h9H,1-2,10H2,3-8H3.
What are the key properties of tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate?
tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate has a molecular weight of 267.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[tert-butyl(prop-2-enoyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 102018945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).