2-acetamido-N,N-diethylprop-2-enamide

C9H16N2O2 — CID 45119415

IUPAC2-acetamido-N,N-diethylprop-2-enamide
SMILESC=C(NC(C)=O)C(=O)N(CC)CC
InChIInChI=1S/C9H16N2O2/c1-5-11(6-2)9(13)7(3)10-8(4)12/h3,5-6H2,1-2,4H3,(H,10,12)
InChIKeyHYYWVZCUNNBERG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.50
Rot. Bonds4

About 2-acetamido-N,N-diethylprop-2-enamide

2-acetamido-N,N-diethylprop-2-enamide (PubChem CID 45119415) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-acetamido-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N,N-diethylprop-2-enamide
PubChem CID45119415
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-acetamido-N,N-diethylprop-2-enamide
SMILESC=C(NC(C)=O)C(=O)N(CC)CC
InChIInChI=1S/C9H16N2O2/c1-5-11(6-2)9(13)7(3)10-8(4)12/h3,5-6H2,1-2,4H3,(H,10,12)
InChIKeyHYYWVZCUNNBERG-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-N-methylprop-2-enamide
CID 15658709
2-acetamido-N-propan-2-ylprop-2-enamide
CID 76315086
2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-acetamido-N-propylprop-2-enamide
CID 76329580
2-Acetamidoprop-2-enamide
CID 21718533
2-acetamido-N-(3-methylbutyl)prop-2-enamide
CID 12004285
Acetamide,N-[1-(1-pyrrolidinylcarbonyl)vinyl]-
CID 45119267
2-acetamido-N-butan-2-ylprop-2-enamide
CID 45119268
N-(3-oxo-3-piperidin-1-ylprop-1-en-2-yl)acetamide
CID 76333253
N-methyl-2-(propanoylamino)-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-enamide
CID 170583105
1-Acetyl-3-eth-(Z)-ylidene-piperazine-2,5-dione
CID 15176645
2-Acetamido-N,N-dimethylprop-2-enamide
CID 71361752

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,N-diethylprop-2-enamide?
The IUPAC name of 2-acetamido-N,N-diethylprop-2-enamide (CID 45119415) is 2-acetamido-N,N-diethylprop-2-enamide.
What is the SMILES notation for 2-acetamido-N,N-diethylprop-2-enamide?
The canonical SMILES for 2-acetamido-N,N-diethylprop-2-enamide is C=C(NC(C)=O)C(=O)N(CC)CC.
What is the InChIKey of 2-acetamido-N,N-diethylprop-2-enamide?
The InChIKey is HYYWVZCUNNBERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-11(6-2)9(13)7(3)10-8(4)12/h3,5-6H2,1-2,4H3,(H,10,12).
What are the key properties of 2-acetamido-N,N-diethylprop-2-enamide?
2-acetamido-N,N-diethylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,N-diethylprop-2-enamide is sourced from PubChem (CID 45119415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).