3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate

C14H19NO3 — CID 69343341

IUPAC3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNCc1ccccc1O
InChIInChI=1S/C14H19NO3/c1-11(2)14(17)18-9-5-8-15-10-12-6-3-4-7-13(12)16/h3-4,6-7,15-16H,1,5,8-10H2,2H3
InChIKeyOMGSICRTPOROON-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds7

About 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate

3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate (PubChem CID 69343341) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate
PubChem CID69343341
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNCc1ccccc1O
InChIInChI=1S/C14H19NO3/c1-11(2)14(17)18-9-5-8-15-10-12-6-3-4-7-13(12)16/h3-4,6-7,15-16H,1,5,8-10H2,2H3
InChIKeyOMGSICRTPOROON-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
CID 175978198
CID 175978198
2-hydroxyethyl 2-methylprop-2-enoate;2-prop-2-enylphenol
CID 174569324
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
3-phenylsulfanylpropyl 2-methylprop-2-enoate
CID 140680016
5-(2-phenylphenyl)pentyl 2-methylprop-2-enoate
CID 171768668
3-[(2-methylphenyl)methylamino]propyl butanoate
CID 82533269
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
5-[(2-methoxyphenyl)methylamino]pentyl acetate
CID 82533082
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate (CID 69343341) is 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNCc1ccccc1O.
What is the InChIKey of 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate?
The InChIKey is OMGSICRTPOROON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(2)14(17)18-9-5-8-15-10-12-6-3-4-7-13(12)16/h3-4,6-7,15-16H,1,5,8-10H2,2H3.
What are the key properties of 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate?
3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate has a molecular weight of 249.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methylamino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 69343341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).