2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

C14H26N2O3 — CID 137481221

IUPAC2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCN(C)C.C=CC(=O)NC(C)C
InChIInChI=1S/C8H15NO2.C6H11NO/c1-7(2)8(10)11-6-5-9(3)4;1-4-6(8)7-5(2)3/h1,5-6H2,2-4H3;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyNJIGNZDKBILVSY-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.36
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide

2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (PubChem CID 137481221) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
PubChem CID137481221
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
SMILESC=C(C)C(=O)OCCN(C)C.C=CC(=O)NC(C)C
InChIInChI=1S/C8H15NO2.C6H11NO/c1-7(2)8(10)11-6-5-9(3)4;1-4-6(8)7-5(2)3/h1,5-6H2,2-4H3;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyNJIGNZDKBILVSY-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.36
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-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide (CID 137481221) is 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)OCCN(C)C.C=CC(=O)NC(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
The InChIKey is NJIGNZDKBILVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C6H11NO/c1-7(2)8(10)11-6-5-9(3)4;1-4-6(8)7-5(2)3/h1,5-6H2,2-4H3;4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide?
2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide has a molecular weight of 270.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 137481221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).