N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide

C9H19N3O — CID 79285555

IUPACN-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCN(C)C
InChIInChI=1S/C9H19N3O/c1-4-5-10-8-9(13)11-6-7-12(2)3/h4,10H,1,5-8H2,2-3H3,(H,11,13)
InChIKeyWBJOZMOVWFGYNX-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.56
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide

N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285555) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285555
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCN(C)C
InChIInChI=1S/C9H19N3O/c1-4-5-10-8-9(13)11-6-7-12(2)3/h4,10H,1,5-8H2,2-3H3,(H,11,13)
InChIKeyWBJOZMOVWFGYNX-UHFFFAOYSA-N
XLogP-0.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide (CID 79285555) is N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is WBJOZMOVWFGYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-5-10-8-9(13)11-6-7-12(2)3/h4,10H,1,5-8H2,2-3H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide?
N-[2-(dimethylamino)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.56, 7 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-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).