N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide

C25H26N2O3 — CID 54781731

IUPACN-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-4-19-10-13-22(14-11-19)30-18(3)24(28)26-21-12-15-23(17(2)16-21)27-25(29)20-8-6-5-7-9-20/h5-16,18H,4H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyRLLQZTRZZIFEQE-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.22
Rot. Bonds7

About N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide

N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide (PubChem CID 54781731) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide
PubChem CID54781731
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C25H26N2O3/c1-4-19-10-13-22(14-11-19)30-18(3)24(28)26-21-12-15-23(17(2)16-21)27-25(29)20-8-6-5-7-9-20/h5-16,18H,4H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyRLLQZTRZZIFEQE-UHFFFAOYSA-N
XLogP5.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]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-[4-[2-(4-tert-butylphenoxy)propanoylamino]-2-methylphenyl]benzamide
CID 54781748
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 53266069
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
N-(4-chloro-2-methylphenyl)-4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]oxybenzamide
CID 4051387
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
N-[4-[2-(4-butylphenoxy)propanoylamino]-2-hydroxy-5-methylphenyl]benzamide
CID 58445785
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-(3-chloro-4-methoxyphenyl)-4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968265

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
The IUPAC name of N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide (CID 54781731) is N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide is CCc1ccc(OC(C)C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1.
What is the InChIKey of N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
The InChIKey is RLLQZTRZZIFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-4-19-10-13-22(14-11-19)30-18(3)24(28)26-21-12-15-23(17(2)16-21)27-25(29)20-8-6-5-7-9-20/h5-16,18H,4H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide?
N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-ethylphenoxy)propanoylamino]-2-methylphenyl]benzamide is sourced from PubChem (CID 54781731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).