(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane

C20H45NO4 — CID 159914915

IUPAC(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane
SMILESC.C.C.C.C=C(C)C(=O)OCC(C)(C)C.C=C(C)C(=O)OCN(C)C
InChIInChI=1S/C9H16O2.C7H13NO2.4CH4/c1-7(2)8(10)11-6-9(3,4)5;1-6(2)7(9)10-5-8(3)4;;;;/h1,6H2,2-5H3;1,5H2,2-4H3;4*1H4
InChIKeyNXQPJESQVFNMTH-UHFFFAOYSA-N
MW363.58 g/mol
LogP5.32
Rot. Bonds5

About (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane

(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane (PubChem CID 159914915) has the molecular formula C20H45NO4 and a molecular weight of 363.58 g/mol. Its IUPAC name is (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane.

Molecular Properties

Compound Name(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane
PubChem CID159914915
Molecular FormulaC20H45NO4
Molecular Weight363.58 g/mol
Exact Mass363.33
IUPAC Name(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane
SMILESC.C.C.C.C=C(C)C(=O)OCC(C)(C)C.C=C(C)C(=O)OCN(C)C
InChIInChI=1S/C9H16O2.C7H13NO2.4CH4/c1-7(2)8(10)11-6-9(3,4)5;1-6(2)7(9)10-5-8(3)4;;;;/h1,6H2,2-5H3;1,5H2,2-4H3;4*1H4
InChIKeyNXQPJESQVFNMTH-UHFFFAOYSA-N
XLogP5.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.58
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[3-[3,3-dimethylbutyl(methyl)amino]-2,2-dimethylpropyl] 2-methylprop-2-enoate
CID 170388193
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
2,2-dimethylpropyl 2-[2-(2,2-dimethylpropoxycarbonyl)prop-2-enoxymethyl]prop-2-enoate
CID 139630888
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
tert-butylsulfanylmethyl 2-methylprop-2-enoate
CID 58422203
[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 87558283
ethyl 2-methylprop-2-enoate;methane
CID 159235789
(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-12-prop-1-en-2-yloxydodecyl) 2-methylprop-2-enoate
CID 138628171
[3-bromo-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 154123375
[2,4,4-trimethyl-2-(2-methylprop-2-enoyloxymethyl)hexyl] 2-methylprop-2-enoate
CID 174553276
[2,2,3,3,4,4,5,5,6,6-decafluoro-7-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 87083622

Frequently Asked Questions

What is the IUPAC name of (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane?
The IUPAC name of (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane (CID 159914915) is (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane.
What is the SMILES notation for (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane?
The canonical SMILES for (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane is C.C.C.C.C=C(C)C(=O)OCC(C)(C)C.C=C(C)C(=O)OCN(C)C.
What is the InChIKey of (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane?
The InChIKey is NXQPJESQVFNMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C7H13NO2.4CH4/c1-7(2)8(10)11-6-9(3,4)5;1-6(2)7(9)10-5-8(3)4;;;;/h1,6H2,2-5H3;1,5H2,2-4H3;4*1H4.
What are the key properties of (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane?
(dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane has a molecular weight of 363.58 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethylamino)methyl 2-methylprop-2-enoate;2,2-dimethylpropyl 2-methylprop-2-enoate;methane is sourced from PubChem (CID 159914915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).