N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide

C11H20N2O3 — CID 86586140

IUPACN,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C.C=CC(=O)N(C)CCO
InChIInChI=1S/C6H11NO2.C5H9NO/c1-3-6(9)7(2)4-5-8;1-4-5(7)6(2)3/h3,8H,1,4-5H2,2H3;4H,1H2,2-3H3
InChIKeyRPNDTOWTCZDUHF-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.12
Rot. Bonds4

About N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide

N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide (PubChem CID 86586140) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide
PubChem CID86586140
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C.C=CC(=O)N(C)CCO
InChIInChI=1S/C6H11NO2.C5H9NO/c1-3-6(9)7(2)4-5-8;1-4-5(7)6(2)3/h3,8H,1,4-5H2,2H3;4H,1H2,2-3H3
InChIKeyRPNDTOWTCZDUHF-UHFFFAOYSA-N
XLogP-0.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The IUPAC name of N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide (CID 86586140) is N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide.
What is the SMILES notation for N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The canonical SMILES for N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide is C=CC(=O)N(C)C.C=CC(=O)N(C)CCO.
What is the InChIKey of N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide?
The InChIKey is RPNDTOWTCZDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C5H9NO/c1-3-6(9)7(2)4-5-8;1-4-5(7)6(2)3/h3,8H,1,4-5H2,2H3;4H,1H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide?
N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide has a molecular weight of 228.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;N-(2-hydroxyethyl)-N-methylprop-2-enamide is sourced from PubChem (CID 86586140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).