N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide

C10H16N2O3 — CID 23369212

IUPACN-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCNC(C)=O)C(C)=O
InChIInChI=1S/C10H16N2O3/c1-7(2)10(15)12(9(4)14)6-5-11-8(3)13/h1,5-6H2,2-4H3,(H,11,13)
InChIKeyINBAMPNBRFTKQQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.07
Rot. Bonds4

About N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide

N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide (PubChem CID 23369212) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide
PubChem CID23369212
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCNC(C)=O)C(C)=O
InChIInChI=1S/C10H16N2O3/c1-7(2)10(15)12(9(4)14)6-5-11-8(3)13/h1,5-6H2,2-4H3,(H,11,13)
InChIKeyINBAMPNBRFTKQQ-UHFFFAOYSA-N
XLogP0.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.07
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-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide?
The IUPAC name of N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide (CID 23369212) is N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide?
The canonical SMILES for N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide is C=C(C)C(=O)N(CCNC(C)=O)C(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide?
The InChIKey is INBAMPNBRFTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)10(15)12(9(4)14)6-5-11-8(3)13/h1,5-6H2,2-4H3,(H,11,13).
What are the key properties of N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide?
N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide has a molecular weight of 212.25 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N-acetyl-2-methylprop-2-enamide is sourced from PubChem (CID 23369212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).