[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate

C12H16N2O2 — CID 134554194

IUPAC[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(NC)cccc1NC
InChIInChI=1S/C12H16N2O2/c1-8(2)12(15)16-11-9(13-3)6-5-7-10(11)14-4/h5-7,13-14H,1H2,2-4H3
InChIKeyVQURFCKDENRPKB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.25
Rot. Bonds4

About [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate

[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate (PubChem CID 134554194) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate
PubChem CID134554194
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1c(NC)cccc1NC
InChIInChI=1S/C12H16N2O2/c1-8(2)12(15)16-11-9(13-3)6-5-7-10(11)14-4/h5-7,13-14H,1H2,2-4H3
InChIKeyVQURFCKDENRPKB-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3,6-dimethyl-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 140889355
(2,3-dimethylazulen-1-yl) 2-methylprop-2-enoate
CID 164546738
(2,3,4,5,6-pentaaminophenyl) 2-methylprop-2-enoate
CID 168968326
(3-hydroxy-2-iodophenyl) 2-methylprop-2-enoate
CID 162497593
(2,6-dimethylphenyl) 2-methylprop-2-enoate;prop-2-enamide
CID 162138067
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
methyl 3,4-diamino-2-(2-methylprop-2-enoyloxy)benzoate
CID 174584414
[3-[3-(2-methylprop-2-enoyloxy)phenyl]sulfonylphenyl] 2-methylprop-2-enoate
CID 19360927
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
(2-cyclopenta-2,4-dien-1-yl-6-methylphenyl) 2-methylprop-2-enoate
CID 164546897
(10-acetyloxy-1,4-dihydroanthracen-9-yl) 2-methylprop-2-enoate
CID 163406656

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate?
The IUPAC name of [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate (CID 134554194) is [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1c(NC)cccc1NC.
What is the InChIKey of [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate?
The InChIKey is VQURFCKDENRPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)12(15)16-11-9(13-3)6-5-7-10(11)14-4/h5-7,13-14H,1H2,2-4H3.
What are the key properties of [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate?
[2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(methylamino)phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134554194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).