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

C20H28ClN3O — CID 120872387

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)CN(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C20H27N3O.ClH/c1-16-12-17(2)14-19(13-16)22-20(24)15-23(11-9-21)10-8-18-6-4-3-5-7-18;/h3-7,12-14H,8-11,15,21H2,1-2H3,(H,22,24);1H
InChIKeyGETAHMFNZLGNSN-UHFFFAOYSA-N
MW361.92 g/mol
LogP3.17
Rot. Bonds8

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

2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride (PubChem CID 120872387) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
PubChem CID120872387
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)CN(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C20H27N3O.ClH/c1-16-12-17(2)14-19(13-16)22-20(24)15-23(11-9-21)10-8-18-6-4-3-5-7-18;/h3-7,12-14H,8-11,15,21H2,1-2H3,(H,22,24);1H
InChIKeyGETAHMFNZLGNSN-UHFFFAOYSA-N
XLogP3.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide;hydrochloride
CID 120872401
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 120871773
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120872237
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 120871923
3-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-difluorophenyl)propanamide
CID 120871752

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride (CID 120872387) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride is Cc1cc(C)cc(NC(=O)CN(CCN)CCc2ccccc2)c1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride?
The InChIKey is GETAHMFNZLGNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.ClH/c1-16-12-17(2)14-19(13-16)22-20(24)15-23(11-9-21)10-8-18-6-4-3-5-7-18;/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-dimethylphenyl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride has a molecular weight of 361.92 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120872387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).