propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate

C21H26N2O5 — CID 54813023

IUPACpropyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C21H26N2O5/c1-3-12-28-21(25)16-4-6-17(7-5-16)22-15-20(24)23-18-8-10-19(11-9-18)27-14-13-26-2/h4-11,22H,3,12-15H2,1-2H3,(H,23,24)
InChIKeyUZFOMKZJKFJEIQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.33
Rot. Bonds11

About propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate

propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate (PubChem CID 54813023) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
PubChem CID54813023
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Namepropyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NCC(=O)Nc2ccc(OCCOC)cc2)cc1
InChIInChI=1S/C21H26N2O5/c1-3-12-28-21(25)16-4-6-17(7-5-16)22-15-20(24)23-18-8-10-19(11-9-18)27-14-13-26-2/h4-11,22H,3,12-15H2,1-2H3,(H,23,24)
InChIKeyUZFOMKZJKFJEIQ-UHFFFAOYSA-N
XLogP3.33
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220
propyl 4-[[2-(4-hexoxyanilino)acetyl]amino]benzoate
CID 54820609
methyl 4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54816861
propyl 4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzoate
CID 54835426
propyl 4-[[2-[4-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54812704
propyl 4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 54822023
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
propyl 4-[[2-(4-bromoanilino)acetyl]amino]benzoate
CID 54810937
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726
propyl 4-[3-(4-methylphenoxy)propanoylamino]benzoate
CID 108802763

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
The IUPAC name of propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate (CID 54813023) is propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
The canonical SMILES for propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate is CCCOC(=O)c1ccc(NCC(=O)Nc2ccc(OCCOC)cc2)cc1.
What is the InChIKey of propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
The InChIKey is UZFOMKZJKFJEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-3-12-28-21(25)16-4-6-17(7-5-16)22-15-20(24)23-18-8-10-19(11-9-18)27-14-13-26-2/h4-11,22H,3,12-15H2,1-2H3,(H,23,24).
What are the key properties of propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate?
propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate has a molecular weight of 386.45 g/mol, XLogP of 3.33, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 54813023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).