2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride

C20H28ClN3O3 — CID 120871664

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN(CCN)CCc2ccccc2)cc1OC.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-25-18-9-8-17(14-19(18)26-2)22-20(24)15-23(13-11-21)12-10-16-6-4-3-5-7-16;/h3-9,14H,10-13,15,21H2,1-2H3,(H,22,24);1H
InChIKeyVEVNGNLECQFIFC-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.57
Rot. Bonds10

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride (PubChem CID 120871664) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
PubChem CID120871664
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccc(NC(=O)CN(CCN)CCc2ccccc2)cc1OC.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-25-18-9-8-17(14-19(18)26-2)22-20(24)15-23(13-11-21)12-10-16-6-4-3-5-7-16;/h3-9,14H,10-13,15,21H2,1-2H3,(H,22,24);1H
InChIKeyVEVNGNLECQFIFC-UHFFFAOYSA-N
XLogP2.57
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride 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-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 120871651
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120871594
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
2-[(2,5-dichlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126015329
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
N-(3,4-dimethoxyphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 78823396

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride (CID 120871664) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride is COc1ccc(NC(=O)CN(CCN)CCc2ccccc2)cc1OC.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is VEVNGNLECQFIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-25-18-9-8-17(14-19(18)26-2)22-20(24)15-23(13-11-21)12-10-16-6-4-3-5-7-16;/h3-9,14H,10-13,15,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120871664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).