N-ethanimidoyloctanamide

C10H20N2O — CID 142602215

IUPACN-ethanimidoyloctanamide
SMILES[H]/N=C(\C)NC(=O)CCCCCCC
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-8-10(13)12-9(2)11/h3-8H2,1-2H3,(H2,11,12,13)
InChIKeyBWIDQYYSBVNEPW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds6

About N-ethanimidoyloctanamide

N-ethanimidoyloctanamide (PubChem CID 142602215) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-ethanimidoyloctanamide.

Molecular Properties

Compound NameN-ethanimidoyloctanamide
PubChem CID142602215
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-ethanimidoyloctanamide
SMILES[H]/N=C(\C)NC(=O)CCCCCCC
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-8-10(13)12-9(2)11/h3-8H2,1-2H3,(H2,11,12,13)
InChIKeyBWIDQYYSBVNEPW-UHFFFAOYSA-N
XLogP2.46
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethanimidoyloctanamide 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-ethanimidoyloctanamide?
The IUPAC name of N-ethanimidoyloctanamide (CID 142602215) is N-ethanimidoyloctanamide.
What is the SMILES notation for N-ethanimidoyloctanamide?
The canonical SMILES for N-ethanimidoyloctanamide is [H]/N=C(\C)NC(=O)CCCCCCC.
What is the InChIKey of N-ethanimidoyloctanamide?
The InChIKey is BWIDQYYSBVNEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-6-7-8-10(13)12-9(2)11/h3-8H2,1-2H3,(H2,11,12,13).
What are the key properties of N-ethanimidoyloctanamide?
N-ethanimidoyloctanamide has a molecular weight of 184.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyloctanamide is sourced from PubChem (CID 142602215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).