2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride

C20H28ClN3O3 — CID 120872401

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(NC(=O)CN(CCN)CCc2ccccc2)cc(OC)c1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-25-18-12-17(13-19(14-18)26-2)22-20(24)15-23(11-9-21)10-8-16-6-4-3-5-7-16;/h3-7,12-14H,8-11,15,21H2,1-2H3,(H,22,24);1H
InChIKeyVFPLLUFKTRRMFN-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.57
Rot. Bonds10

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride (PubChem CID 120872401) 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-(3,5-dimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
PubChem CID120872401
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(NC(=O)CN(CCN)CCc2ccccc2)cc(OC)c1.Cl
InChIInChI=1S/C20H27N3O3.ClH/c1-25-18-12-17(13-19(14-18)26-2)22-20(24)15-23(11-9-21)10-8-16-6-4-3-5-7-16;/h3-7,12-14H,8-11,15,21H2,1-2H3,(H,22,24);1H
InChIKeyVFPLLUFKTRRMFN-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

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Related Compounds

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-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 120871619
3-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)propanamide;hydrochloride
CID 120871594
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-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 120871651
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
N-(3-methoxyphenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 8555015
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride (CID 120872401) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride is COc1cc(NC(=O)CN(CCN)CCc2ccccc2)cc(OC)c1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is VFPLLUFKTRRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3.ClH/c1-25-18-12-17(13-19(14-18)26-2)22-20(24)15-23(11-9-21)10-8-16-6-4-3-5-7-16;/h3-7,12-14H,8-11,15,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-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-(3,5-dimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120872401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).