3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H27ClN2O — CID 119788038

IUPAC3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCc1cccc(C)c1CCNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-14-8-7-9-15(2)18(14)12-13-22-20(23)16(3)19(21)17-10-5-4-6-11-17;/h4-11,16,19H,12-13,21H2,1-3H3,(H,22,23);1H
InChIKeyVCEXEBOFWMMSPC-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.72
Rot. Bonds6

About 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119788038) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119788038
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCc1cccc(C)c1CCNC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-14-8-7-9-15(2)18(14)12-13-22-20(23)16(3)19(21)17-10-5-4-6-11-17;/h4-11,16,19H,12-13,21H2,1-3H3,(H,22,23);1H
InChIKeyVCEXEBOFWMMSPC-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 120500978
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CID 119736260
3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
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N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
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CID 119772263
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
methyl 4-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]benzoate
CID 119701393
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
4-amino-N-[2-(2,6-dimethylphenyl)ethyl]pentanamide;hydrochloride
CID 120562805

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119788038) is 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is Cc1cccc(C)c1CCNC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is VCEXEBOFWMMSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-14-8-7-9-15(2)18(14)12-13-22-20(23)16(3)19(21)17-10-5-4-6-11-17;/h4-11,16,19H,12-13,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119788038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).