N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide

C9H16N2O3 — CID 129316095

IUPACN-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CCNC(C)=O
InChIInChI=1S/C9H16N2O3/c1-3-9(14)11(6-7-12)5-4-10-8(2)13/h3,12H,1,4-7H2,2H3,(H,10,13)
InChIKeyVSRLHOXTJMAFKD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.87
Rot. Bonds6

About N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide

N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide (PubChem CID 129316095) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide
PubChem CID129316095
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC NameN-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide
SMILESC=CC(=O)N(CCO)CCNC(C)=O
InChIInChI=1S/C9H16N2O3/c1-3-9(14)11(6-7-12)5-4-10-8(2)13/h3,12H,1,4-7H2,2H3,(H,10,13)
InChIKeyVSRLHOXTJMAFKD-UHFFFAOYSA-N
XLogP-0.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
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-(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide (CID 129316095) is N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide is C=CC(=O)N(CCO)CCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide?
The InChIKey is VSRLHOXTJMAFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-9(14)11(6-7-12)5-4-10-8(2)13/h3,12H,1,4-7H2,2H3,(H,10,13).
What are the key properties of N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide?
N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide has a molecular weight of 200.24 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N-(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 129316095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).