[2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

C15H21NO5 — CID 154599047

IUPAC[2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C15H21NO5/c1-9(2)13(17)16-12(7-20-14(18)10(3)4)8-21-15(19)11(5)6/h12H,1,3,5,7-8H2,2,4,6H3,(H,16,17)
InChIKeyQCMOFTBQPWIWNC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.29
Rot. Bonds8

About [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

[2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (PubChem CID 154599047) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
PubChem CID154599047
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name[2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)NC(COC(=O)C(=C)C)COC(=O)C(=C)C
InChIInChI=1S/C15H21NO5/c1-9(2)13(17)16-12(7-20-14(18)10(3)4)8-21-15(19)11(5)6/h12H,1,3,5,7-8H2,2,4,6H3,(H,16,17)
InChIKeyQCMOFTBQPWIWNC-UHFFFAOYSA-N
XLogP1.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-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 [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (CID 154599047) is [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)NC(COC(=O)C(=C)C)COC(=O)C(=C)C.
What is the InChIKey of [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The InChIKey is QCMOFTBQPWIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-9(2)13(17)16-12(7-20-14(18)10(3)4)8-21-15(19)11(5)6/h12H,1,3,5,7-8H2,2,4,6H3,(H,16,17).
What are the key properties of [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
[2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate has a molecular weight of 295.34 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoylamino)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 154599047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).