2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide

C19H25N3O2 — CID 113442235

IUPAC2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(CCN)Cc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-2-24-18-10-8-17(9-11-18)21-19(23)15-22(13-12-20)14-16-6-4-3-5-7-16/h3-11H,2,12-15,20H2,1H3,(H,21,23)
InChIKeyFKBUXBYMUJCQCU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.48
Rot. Bonds9

About 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide

2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 113442235) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
PubChem CID113442235
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN(CCN)Cc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-2-24-18-10-8-17(9-11-18)21-19(23)15-22(13-12-20)14-16-6-4-3-5-7-16/h3-11H,2,12-15,20H2,1H3,(H,21,23)
InChIKeyFKBUXBYMUJCQCU-UHFFFAOYSA-N
XLogP2.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide 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-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 5042527
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
3-[benzyl-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]amino]propanamide
CID 18288462
2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797709
2-[benzhydryl(methyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 8730307

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide (CID 113442235) is 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN(CCN)Cc2ccccc2)cc1.
What is the InChIKey of 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is FKBUXBYMUJCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-24-18-10-8-17(9-11-18)21-19(23)15-22(13-12-20)14-16-6-4-3-5-7-16/h3-11H,2,12-15,20H2,1H3,(H,21,23).
What are the key properties of 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide?
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 113442235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).