[2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate

C14H19NO3 — CID 13044244

IUPAC[2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CN(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(2)14(17)18-10-13(16)9-15(3)12-7-5-4-6-8-12/h4-8,13,16H,1,9-10H2,2-3H3
InChIKeyDXDZWZAXYZQSAU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.60
Rot. Bonds6

About [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate

[2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate (PubChem CID 13044244) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate
PubChem CID13044244
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)CN(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(2)14(17)18-10-13(16)9-15(3)12-7-5-4-6-8-12/h4-8,13,16H,1,9-10H2,2-3H3
InChIKeyDXDZWZAXYZQSAU-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
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-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate (CID 13044244) is [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)CN(C)c1ccccc1.
What is the InChIKey of [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate?
The InChIKey is DXDZWZAXYZQSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)14(17)18-10-13(16)9-15(3)12-7-5-4-6-8-12/h4-8,13,16H,1,9-10H2,2-3H3.
What are the key properties of [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate has a molecular weight of 249.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(N-methylanilino)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 13044244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).