2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide

C21H27ClN2O2 — CID 100519658

IUPAC2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide
SMILESCCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27ClN2O2/c1-5-24(18-10-6-16(2)7-11-18)15-14-23-20(25)21(3,4)26-19-12-8-17(22)9-13-19/h6-13H,5,14-15H2,1-4H3,(H,23,25)
InChIKeyDBEVGGKAWHEHII-UHFFFAOYSA-N
MW374.91 g/mol
LogP4.45
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide (PubChem CID 100519658) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide
PubChem CID100519658
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide
SMILESCCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H27ClN2O2/c1-5-24(18-10-6-16(2)7-11-18)15-14-23-20(25)21(3,4)26-19-12-8-17(22)9-13-19/h6-13H,5,14-15H2,1-4H3,(H,23,25)
InChIKeyDBEVGGKAWHEHII-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide 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-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide (CID 100519658) is 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide is CCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide?
The InChIKey is DBEVGGKAWHEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-5-24(18-10-6-16(2)7-11-18)15-14-23-20(25)21(3,4)26-19-12-8-17(22)9-13-19/h6-13H,5,14-15H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide has a molecular weight of 374.91 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(N-ethyl-4-methylanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 100519658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).