2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide

C17H25ClN2O2 — CID 173434454

IUPAC2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide
SMILESCCCON=CCN(C(=O)C(Cl)CC)c1ccccc1CC
InChIInChI=1S/C17H25ClN2O2/c1-4-13-22-19-11-12-20(17(21)15(18)6-3)16-10-8-7-9-14(16)5-2/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeyHOUIDMPKPLGNBL-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.01
Rot. Bonds9

About 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide

2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide (PubChem CID 173434454) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide
PubChem CID173434454
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide
SMILESCCCON=CCN(C(=O)C(Cl)CC)c1ccccc1CC
InChIInChI=1S/C17H25ClN2O2/c1-4-13-22-19-11-12-20(17(21)15(18)6-3)16-10-8-7-9-14(16)5-2/h7-11,15H,4-6,12-13H2,1-3H3
InChIKeyHOUIDMPKPLGNBL-UHFFFAOYSA-N
XLogP4.01
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide 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 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide (CID 173434454) is 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide is CCCON=CCN(C(=O)C(Cl)CC)c1ccccc1CC.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide?
The InChIKey is HOUIDMPKPLGNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-13-22-19-11-12-20(17(21)15(18)6-3)16-10-8-7-9-14(16)5-2/h7-11,15H,4-6,12-13H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide?
2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide has a molecular weight of 324.85 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide is sourced from PubChem (CID 173434454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).