N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide

C31H31N3O3 — CID 54841930

IUPACN-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C31H31N3O3/c1-34(23-25-12-6-3-7-13-25)31(36)26-14-8-15-27(20-26)32-22-30(35)33-28-16-9-17-29(21-28)37-19-18-24-10-4-2-5-11-24/h2-17,20-21,32H,18-19,22-23H2,1H3,(H,33,35)
InChIKeyRXHQOQUDDDIGDO-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.63
Rot. Bonds11

About N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide

N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (PubChem CID 54841930) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
PubChem CID54841930
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC NameN-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
SMILESCN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1
InChIInChI=1S/C31H31N3O3/c1-34(23-25-12-6-3-7-13-25)31(36)26-14-8-15-27(20-26)32-22-30(35)33-28-16-9-17-29(21-28)37-19-18-24-10-4-2-5-11-24/h2-17,20-21,32H,18-19,22-23H2,1H3,(H,33,35)
InChIKeyRXHQOQUDDDIGDO-UHFFFAOYSA-N
XLogP5.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]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

N-benzyl-3-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]-N-methylbenzamide
CID 54827428
N-benzyl-3-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54841928
N-benzyl-3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54842111
N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54839558
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54836267
N-tert-butyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide
CID 54844265
N-benzyl-N-methyl-3-(2-phenylethoxy)benzamide
CID 17134261
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
N-benzyl-N-methyl-3-[[2-(2-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54828122

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide (CID 54841930) is N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is CN(Cc1ccccc1)C(=O)c1cccc(NCC(=O)Nc2cccc(OCCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
The InChIKey is RXHQOQUDDDIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-34(23-25-12-6-3-7-13-25)31(36)26-14-8-15-27(20-26)32-22-30(35)33-28-16-9-17-29(21-28)37-19-18-24-10-4-2-5-11-24/h2-17,20-21,32H,18-19,22-23H2,1H3,(H,33,35).
What are the key properties of N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide?
N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide has a molecular weight of 493.61 g/mol, XLogP of 5.63, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54841930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).