3-(ethylamino)-2-methylidenepentanamide

C8H16N2O — CID 22497379

IUPAC3-(ethylamino)-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(CC)NCC
InChIInChI=1S/C8H16N2O/c1-4-7(10-5-2)6(3)8(9)11/h7,10H,3-5H2,1-2H3,(H2,9,11)
InChIKeyYMPSMUQHMGRXLN-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds5

About 3-(ethylamino)-2-methylidenepentanamide

3-(ethylamino)-2-methylidenepentanamide (PubChem CID 22497379) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(ethylamino)-2-methylidenepentanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methylidenepentanamide
PubChem CID22497379
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(ethylamino)-2-methylidenepentanamide
SMILESC=C(C(N)=O)C(CC)NCC
InChIInChI=1S/C8H16N2O/c1-4-7(10-5-2)6(3)8(9)11/h7,10H,3-5H2,1-2H3,(H2,9,11)
InChIKeyYMPSMUQHMGRXLN-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(ethylamino)-2-methylidenepentanamide 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 3-(ethylamino)-2-methylidenepentanamide?
The IUPAC name of 3-(ethylamino)-2-methylidenepentanamide (CID 22497379) is 3-(ethylamino)-2-methylidenepentanamide.
What is the SMILES notation for 3-(ethylamino)-2-methylidenepentanamide?
The canonical SMILES for 3-(ethylamino)-2-methylidenepentanamide is C=C(C(N)=O)C(CC)NCC.
What is the InChIKey of 3-(ethylamino)-2-methylidenepentanamide?
The InChIKey is YMPSMUQHMGRXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-7(10-5-2)6(3)8(9)11/h7,10H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of 3-(ethylamino)-2-methylidenepentanamide?
3-(ethylamino)-2-methylidenepentanamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methylidenepentanamide is sourced from PubChem (CID 22497379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).