N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide

C7H13NO3 — CID 18792570

IUPACN-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)CCO
InChIInChI=1S/C7H13NO3/c1-6(2)7(11)8(5-10)3-4-9/h9-10H,1,3-5H2,2H3
InChIKeyLEKBZABRBASIQY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.67
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide

N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide (PubChem CID 18792570) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
PubChem CID18792570
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)CCO
InChIInChI=1S/C7H13NO3/c1-6(2)7(11)8(5-10)3-4-9/h9-10H,1,3-5H2,2H3
InChIKeyLEKBZABRBASIQY-UHFFFAOYSA-N
XLogP-0.67
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide (CID 18792570) is N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CO)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
The InChIKey is LEKBZABRBASIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(2)7(11)8(5-10)3-4-9/h9-10H,1,3-5H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide?
N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide has a molecular weight of 159.19 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 18792570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).