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

C7H13NO2 — CID 18982596

IUPACN-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)CO
InChIInChI=1S/C7H13NO2/c1-4-8(5-9)7(10)6(2)3/h9H,2,4-5H2,1,3H3
InChIKeyDTLHKFMXQMLMPY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.36
Rot. Bonds3

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

N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide (PubChem CID 18982596) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
PubChem CID18982596
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CC)CO
InChIInChI=1S/C7H13NO2/c1-4-8(5-9)7(10)6(2)3/h9H,2,4-5H2,1,3H3
InChIKeyDTLHKFMXQMLMPY-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide (CID 18982596) is N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CC)CO.
What is the InChIKey of N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
The InChIKey is DTLHKFMXQMLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-8(5-9)7(10)6(2)3/h9H,2,4-5H2,1,3H3.
What are the key properties of N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 18982596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).