2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide

C10H16N2O3 — CID 87315079

IUPAC2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide
SMILESC=C(CNC(C)=O)C(=O)N(CC)C(C)=O
InChIInChI=1S/C10H16N2O3/c1-5-12(9(4)14)10(15)7(2)6-11-8(3)13/h2,5-6H2,1,3-4H3,(H,11,13)
InChIKeyBXACHFLLMNTENP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.07
Rot. Bonds4

About 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide

2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide (PubChem CID 87315079) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide.

Molecular Properties

Compound Name2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide
PubChem CID87315079
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide
SMILESC=C(CNC(C)=O)C(=O)N(CC)C(C)=O
InChIInChI=1S/C10H16N2O3/c1-5-12(9(4)14)10(15)7(2)6-11-8(3)13/h2,5-6H2,1,3-4H3,(H,11,13)
InChIKeyBXACHFLLMNTENP-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 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide?
The IUPAC name of 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide (CID 87315079) is 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide.
What is the SMILES notation for 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide?
The canonical SMILES for 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide is C=C(CNC(C)=O)C(=O)N(CC)C(C)=O.
What is the InChIKey of 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide?
The InChIKey is BXACHFLLMNTENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-12(9(4)14)10(15)7(2)6-11-8(3)13/h2,5-6H2,1,3-4H3,(H,11,13).
What are the key properties of 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide?
2-(acetamidomethyl)-N-acetyl-N-ethylprop-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 2-(acetamidomethyl)-N-acetyl-N-ethylprop-2-enamide is sourced from PubChem (CID 87315079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).