N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide

C11H21N3O2 — CID 54443355

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C11H21N3O2/c1-6-9(15)13-11(2,3)10(16)12-7-8-14(4)5/h6H,1,7-8H2,2-5H3,(H,12,16)(H,13,15)
InChIKeyWPSBFKONCUQGHG-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.25
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide

N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide (PubChem CID 54443355) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
PubChem CID54443355
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NC(C)(C)C(=O)NCCN(C)C
InChIInChI=1S/C11H21N3O2/c1-6-9(15)13-11(2,3)10(16)12-7-8-14(4)5/h6H,1,7-8H2,2-5H3,(H,12,16)(H,13,15)
InChIKeyWPSBFKONCUQGHG-UHFFFAOYSA-N
XLogP-0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide (CID 54443355) is N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide is C=CC(=O)NC(C)(C)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
The InChIKey is WPSBFKONCUQGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6-9(15)13-11(2,3)10(16)12-7-8-14(4)5/h6H,1,7-8H2,2-5H3,(H,12,16)(H,13,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide?
N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide has a molecular weight of 227.31 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-2-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 54443355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).