N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide

C20H25N3O3 — CID 120603849

IUPACN-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C20H25N3O3/c1-2-26-16-10-7-15(8-11-16)9-12-19(24)23-18-6-4-3-5-17(18)20(25)22-14-13-21/h3-8,10-11H,2,9,12-14,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyIWMYXCLXXUHELP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.35
Rot. Bonds9

About N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide

N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide (PubChem CID 120603849) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
PubChem CID120603849
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
SMILESCCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C20H25N3O3/c1-2-26-16-10-7-15(8-11-16)9-12-19(24)23-18-6-4-3-5-17(18)20(25)22-14-13-21/h3-8,10-11H,2,9,12-14,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyIWMYXCLXXUHELP-UHFFFAOYSA-N
XLogP2.35
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]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-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454
methyl 2-[3-(4-ethoxyphenyl)propanoylamino]benzoate
CID 19225981
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
2-[3-(3,4-diethoxyphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 99958293
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide (CID 120603849) is N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide is CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide?
The InChIKey is IWMYXCLXXUHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-26-16-10-7-15(8-11-16)9-12-19(24)23-18-6-4-3-5-17(18)20(25)22-14-13-21/h3-8,10-11H,2,9,12-14,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide?
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide is sourced from PubChem (CID 120603849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).