N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide

C25H28N2O3 — CID 4610036

IUPACN-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide
SMILESCCOC(CNC(=O)C(c1ccccc1)c1ccccc1)(OCC)c1ccccn1
InChIInChI=1S/C25H28N2O3/c1-3-29-25(30-4-2,22-17-11-12-18-26-22)19-27-24(28)23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,23H,3-4,19H2,1-2H3,(H,27,28)
InChIKeyIRQSAPZUEHGCHV-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.26
Rot. Bonds10

About N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide

N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide (PubChem CID 4610036) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide
PubChem CID4610036
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide
SMILESCCOC(CNC(=O)C(c1ccccc1)c1ccccc1)(OCC)c1ccccn1
InChIInChI=1S/C25H28N2O3/c1-3-29-25(30-4-2,22-17-11-12-18-26-22)19-27-24(28)23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,23H,3-4,19H2,1-2H3,(H,27,28)
InChIKeyIRQSAPZUEHGCHV-UHFFFAOYSA-N
XLogP4.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide 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-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide?
The IUPAC name of N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide (CID 4610036) is N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide is CCOC(CNC(=O)C(c1ccccc1)c1ccccc1)(OCC)c1ccccn1.
What is the InChIKey of N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide?
The InChIKey is IRQSAPZUEHGCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-3-29-25(30-4-2,22-17-11-12-18-26-22)19-27-24(28)23(20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18,23H,3-4,19H2,1-2H3,(H,27,28).
What are the key properties of N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide?
N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide has a molecular weight of 404.51 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxy-2-pyridin-2-ylethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 4610036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).