N,2-dimethyl-3-(methylamino)propanamide;ethenone

C8H16N2O2 — CID 91444745

IUPACN,2-dimethyl-3-(methylamino)propanamide;ethenone
SMILESC=C=O.CNCC(C)C(=O)NC
InChIInChI=1S/C6H14N2O.C2H2O/c1-5(4-7-2)6(9)8-3;1-2-3/h5,7H,4H2,1-3H3,(H,8,9);1H2
InChIKeyWENRNWYWYNPJAP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.41
Rot. Bonds3

About N,2-dimethyl-3-(methylamino)propanamide;ethenone

N,2-dimethyl-3-(methylamino)propanamide;ethenone (PubChem CID 91444745) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)propanamide;ethenone.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)propanamide;ethenone
PubChem CID91444745
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN,2-dimethyl-3-(methylamino)propanamide;ethenone
SMILESC=C=O.CNCC(C)C(=O)NC
InChIInChI=1S/C6H14N2O.C2H2O/c1-5(4-7-2)6(9)8-3;1-2-3/h5,7H,4H2,1-3H3,(H,8,9);1H2
InChIKeyWENRNWYWYNPJAP-UHFFFAOYSA-N
XLogP-0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)propanamide;ethenone?
The IUPAC name of N,2-dimethyl-3-(methylamino)propanamide;ethenone (CID 91444745) is N,2-dimethyl-3-(methylamino)propanamide;ethenone.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)propanamide;ethenone?
The canonical SMILES for N,2-dimethyl-3-(methylamino)propanamide;ethenone is C=C=O.CNCC(C)C(=O)NC.
What is the InChIKey of N,2-dimethyl-3-(methylamino)propanamide;ethenone?
The InChIKey is WENRNWYWYNPJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H2O/c1-5(4-7-2)6(9)8-3;1-2-3/h5,7H,4H2,1-3H3,(H,8,9);1H2.
What are the key properties of N,2-dimethyl-3-(methylamino)propanamide;ethenone?
N,2-dimethyl-3-(methylamino)propanamide;ethenone has a molecular weight of 172.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)propanamide;ethenone is sourced from PubChem (CID 91444745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).