2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride

C22H32ClN3O — CID 120872237

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCc1cccc(C(C)C)c1NC(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C22H31N3O.ClH/c1-17(2)20-11-7-8-18(3)22(20)24-21(26)16-25(15-13-23)14-12-19-9-5-4-6-10-19;/h4-11,17H,12-16,23H2,1-3H3,(H,24,26);1H
InChIKeyKHXOIYHZJPAVAM-UHFFFAOYSA-N
MW389.97 g/mol
LogP3.98
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 120872237) has the molecular formula C22H32ClN3O and a molecular weight of 389.97 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID120872237
Molecular FormulaC22H32ClN3O
Molecular Weight389.97 g/mol
Exact Mass389.22
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCc1cccc(C(C)C)c1NC(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C22H31N3O.ClH/c1-17(2)20-11-7-8-18(3)22(20)24-21(26)16-25(15-13-23)14-12-19-9-5-4-6-10-19;/h4-11,17H,12-16,23H2,1-3H3,(H,24,26);1H
InChIKeyKHXOIYHZJPAVAM-UHFFFAOYSA-N
XLogP3.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.97
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024299
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169
N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
CID 108951208
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120872517

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride (CID 120872237) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride is Cc1cccc(C(C)C)c1NC(=O)CN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is KHXOIYHZJPAVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O.ClH/c1-17(2)20-11-7-8-18(3)22(20)24-21(26)16-25(15-13-23)14-12-19-9-5-4-6-10-19;/h4-11,17H,12-16,23H2,1-3H3,(H,24,26);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 3.98, 9 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-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120872237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).