methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride

C19H23ClN2O4 — CID 119752196

IUPACmethyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)ccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-12(17(20)13-7-5-4-6-8-13)18(22)21-16-10-9-14(24-2)11-15(16)19(23)25-3;/h4-12,17H,20H2,1-3H3,(H,21,22);1H
InChIKeyCWMGHDPSXAMHHO-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.18
Rot. Bonds6

About methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride

methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride (PubChem CID 119752196) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
PubChem CID119752196
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Namemethyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)ccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H22N2O4.ClH/c1-12(17(20)13-7-5-4-6-8-13)18(22)21-16-10-9-14(24-2)11-15(16)19(23)25-3;/h4-12,17H,20H2,1-3H3,(H,21,22);1H
InChIKeyCWMGHDPSXAMHHO-UHFFFAOYSA-N
XLogP3.18
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
3-amino-N-(2-ethoxy-5-methoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119774050
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride?
The IUPAC name of methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride (CID 119752196) is methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride?
The canonical SMILES for methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride is COC(=O)c1cc(OC)ccc1NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride?
The InChIKey is CWMGHDPSXAMHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.ClH/c1-12(17(20)13-7-5-4-6-8-13)18(22)21-16-10-9-14(24-2)11-15(16)19(23)25-3;/h4-12,17H,20H2,1-3H3,(H,21,22);1H.
What are the key properties of methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride?
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride is sourced from PubChem (CID 119752196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).