N'-ethyl-N-methyl-2-methylidenebutanediamide

C8H14N2O2 — CID 54547496

IUPACN'-ethyl-N-methyl-2-methylidenebutanediamide
SMILESC=C(CC(=O)NCC)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-10-7(11)5-6(2)8(12)9-3/h2,4-5H2,1,3H3,(H,9,12)(H,10,11)
InChIKeyZHNZTGRRQMHBIC-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds4

About N'-ethyl-N-methyl-2-methylidenebutanediamide

N'-ethyl-N-methyl-2-methylidenebutanediamide (PubChem CID 54547496) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N'-ethyl-N-methyl-2-methylidenebutanediamide.

Molecular Properties

Compound NameN'-ethyl-N-methyl-2-methylidenebutanediamide
PubChem CID54547496
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN'-ethyl-N-methyl-2-methylidenebutanediamide
SMILESC=C(CC(=O)NCC)C(=O)NC
InChIInChI=1S/C8H14N2O2/c1-4-10-7(11)5-6(2)8(12)9-3/h2,4-5H2,1,3H3,(H,9,12)(H,10,11)
InChIKeyZHNZTGRRQMHBIC-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N'-ethyl-N-methyl-2-methylidenebutanediamide 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-methyl-2-methylidenebutanediamide?
The IUPAC name of N'-ethyl-N-methyl-2-methylidenebutanediamide (CID 54547496) is N'-ethyl-N-methyl-2-methylidenebutanediamide.
What is the SMILES notation for N'-ethyl-N-methyl-2-methylidenebutanediamide?
The canonical SMILES for N'-ethyl-N-methyl-2-methylidenebutanediamide is C=C(CC(=O)NCC)C(=O)NC.
What is the InChIKey of N'-ethyl-N-methyl-2-methylidenebutanediamide?
The InChIKey is ZHNZTGRRQMHBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-7(11)5-6(2)8(12)9-3/h2,4-5H2,1,3H3,(H,9,12)(H,10,11).
What are the key properties of N'-ethyl-N-methyl-2-methylidenebutanediamide?
N'-ethyl-N-methyl-2-methylidenebutanediamide has a molecular weight of 170.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-2-methylidenebutanediamide is sourced from PubChem (CID 54547496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).