N-ethyl-N-(2-iminobutyl)acetamide

C8H16N2O — CID 155200421

IUPACN-ethyl-N-(2-iminobutyl)acetamide
SMILES[H]/N=C(\CC)CN(CC)C(C)=O
InChIInChI=1S/C8H16N2O/c1-4-8(9)6-10(5-2)7(3)11/h9H,4-6H2,1-3H3/b9-8+
InChIKeyMMSKDBAZCCQKAH-CMDGGOBGSA-N
MW156.23 g/mol
LogP1.28
Rot. Bonds4

About N-ethyl-N-(2-iminobutyl)acetamide

N-ethyl-N-(2-iminobutyl)acetamide (PubChem CID 155200421) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-ethyl-N-(2-iminobutyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-iminobutyl)acetamide
PubChem CID155200421
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-ethyl-N-(2-iminobutyl)acetamide
SMILES[H]/N=C(\CC)CN(CC)C(C)=O
InChIInChI=1S/C8H16N2O/c1-4-8(9)6-10(5-2)7(3)11/h9H,4-6H2,1-3H3/b9-8+
InChIKeyMMSKDBAZCCQKAH-CMDGGOBGSA-N
XLogP1.28
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-ethyl-N-(2-iminobutyl)acetamide 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-(2-iminobutyl)acetamide?
The IUPAC name of N-ethyl-N-(2-iminobutyl)acetamide (CID 155200421) is N-ethyl-N-(2-iminobutyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-iminobutyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-iminobutyl)acetamide is [H]/N=C(\CC)CN(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-(2-iminobutyl)acetamide?
The InChIKey is MMSKDBAZCCQKAH-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-8(9)6-10(5-2)7(3)11/h9H,4-6H2,1-3H3/b9-8+.
What are the key properties of N-ethyl-N-(2-iminobutyl)acetamide?
N-ethyl-N-(2-iminobutyl)acetamide has a molecular weight of 156.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-iminobutyl)acetamide is sourced from PubChem (CID 155200421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).