N-carbamoyl-3-ethylpent-2-enamide

C8H14N2O2 — CID 3032106

IUPACN-carbamoyl-3-ethylpent-2-enamide
SMILESCCC(=CC(=O)NC(N)=O)CC
InChIInChI=1S/C8H14N2O2/c1-3-6(4-2)5-7(11)10-8(9)12/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyONHPDGIILOWPFL-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.93
Rot. Bonds3

About N-carbamoyl-3-ethylpent-2-enamide

N-carbamoyl-3-ethylpent-2-enamide (PubChem CID 3032106) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-carbamoyl-3-ethylpent-2-enamide.

Molecular Properties

Compound NameN-carbamoyl-3-ethylpent-2-enamide
PubChem CID3032106
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-carbamoyl-3-ethylpent-2-enamide
SMILESCCC(=CC(=O)NC(N)=O)CC
InChIInChI=1S/C8H14N2O2/c1-3-6(4-2)5-7(11)10-8(9)12/h5H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyONHPDGIILOWPFL-UHFFFAOYSA-N
XLogP0.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-carbamoyl-3-ethylpent-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-carbamoyl-3-ethylpent-2-enamide?
The IUPAC name of N-carbamoyl-3-ethylpent-2-enamide (CID 3032106) is N-carbamoyl-3-ethylpent-2-enamide.
What is the SMILES notation for N-carbamoyl-3-ethylpent-2-enamide?
The canonical SMILES for N-carbamoyl-3-ethylpent-2-enamide is CCC(=CC(=O)NC(N)=O)CC.
What is the InChIKey of N-carbamoyl-3-ethylpent-2-enamide?
The InChIKey is ONHPDGIILOWPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-6(4-2)5-7(11)10-8(9)12/h5H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of N-carbamoyl-3-ethylpent-2-enamide?
N-carbamoyl-3-ethylpent-2-enamide has a molecular weight of 170.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-ethylpent-2-enamide is sourced from PubChem (CID 3032106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).