2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide

C13H24N2O3 — CID 86733858

IUPAC2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide
SMILESC=C(C)C(=O)OCCN(CC)CC.C=CC(N)=O
InChIInChI=1S/C10H19NO2.C3H5NO/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-2-3(4)5/h3,5-8H2,1-2,4H3;2H,1H2,(H2,4,5)
InChIKeyVINCHKLLOIGLAR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.11
Rot. Bonds7

About 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide

2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide (PubChem CID 86733858) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide
PubChem CID86733858
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide
SMILESC=C(C)C(=O)OCCN(CC)CC.C=CC(N)=O
InChIInChI=1S/C10H19NO2.C3H5NO/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-2-3(4)5/h3,5-8H2,1-2,4H3;2H,1H2,(H2,4,5)
InChIKeyVINCHKLLOIGLAR-UHFFFAOYSA-N
XLogP1.11
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.11
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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Related Compounds

Prop-2-enamide;trimethyl(2-prop-2-enoyloxyethyl)azanium;chloride
CID 155211
Prop-2-enimidic acid--2-(dimethylamino)ethyl 2-methylprop-2-enoate (1/1)
CID 160008
Prop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 169693
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;sulfuric acid
CID 173721
2-Methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;hydrochloride
CID 88710434
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide;prop-2-enoic acid
CID 161182783
Ethanaminium, N-ethyl-N,N-dimethyl-2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, ethyl sulfate, polymer with 2-propenamide
CID 6453148
2-Propen-1-aminium, N,N-dimethyl-N-2-propen-1-yl-, chloride, polymer with butyl 2-methyl-2-propenoate and 2-propenamide
CID 44152931
Dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide;trimethyl(2-prop-2-enoyloxyethyl)azanium;dichloride
CID 44153943
Prop-2-enamide;prop-2-enoic acid;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 44154309
Methyl sulfate;prop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19005305

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide (CID 86733858) is 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide is C=C(C)C(=O)OCCN(CC)CC.C=CC(N)=O.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide?
The InChIKey is VINCHKLLOIGLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C3H5NO/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-2-3(4)5/h3,5-8H2,1-2,4H3;2H,1H2,(H2,4,5).
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide?
2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide has a molecular weight of 256.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-enoate;prop-2-enamide is sourced from PubChem (CID 86733858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).