N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide

C25H25N3O3 — CID 67124692

IUPACN-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
SMILESO=C(COc1ccccc1NC(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(26-20-12-14-21(15-13-20)28-16-6-7-17-28)18-31-23-11-5-4-10-22(23)27-25(30)19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,26,29)(H,27,30)
InChIKeyNGFWLPKAKZPLRP-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.56
Rot. Bonds7

About N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide

N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide (PubChem CID 67124692) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
PubChem CID67124692
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
SMILESO=C(COc1ccccc1NC(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C25H25N3O3/c29-24(26-20-12-14-21(15-13-20)28-16-6-7-17-28)18-31-23-11-5-4-10-22(23)27-25(30)19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,26,29)(H,27,30)
InChIKeyNGFWLPKAKZPLRP-UHFFFAOYSA-N
XLogP4.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide 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

2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-[4-(azepan-1-yl)phenyl]-2-(2-formylphenoxy)acetamide
CID 9009767
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
CID 7780766
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922496
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide?
The IUPAC name of N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide (CID 67124692) is N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide.
What is the SMILES notation for N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide?
The canonical SMILES for N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide is O=C(COc1ccccc1NC(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide?
The InChIKey is NGFWLPKAKZPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24(26-20-12-14-21(15-13-20)28-16-6-7-17-28)18-31-23-11-5-4-10-22(23)27-25(30)19-8-2-1-3-9-19/h1-5,8-15H,6-7,16-18H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide?
N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide is sourced from PubChem (CID 67124692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).