3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride

C18H23ClN2O3 — CID 119674271

IUPAC3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)C(C)C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12(17(19)13-7-5-4-6-8-13)18(21)20-15-11-14(22-2)9-10-16(15)23-3;/h4-12,17H,19H2,1-3H3,(H,20,21);1H
InChIKeyHKVNQDJBHIEIHB-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.40
Rot. Bonds6

About 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119674271) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119674271
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)C(C)C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-12(17(19)13-7-5-4-6-8-13)18(21)20-15-11-14(22-2)9-10-16(15)23-3;/h4-12,17H,19H2,1-3H3,(H,20,21);1H
InChIKeyHKVNQDJBHIEIHB-UHFFFAOYSA-N
XLogP3.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-ethoxy-5-methoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119774050
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
CID 119752196
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665
[(1R)-2-(2,5-dimethoxyanilino)-2-oxo-1-phenylethyl] acetate
CID 41098079
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119674271) is 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride is COc1ccc(OC)c(NC(=O)C(C)C(N)c2ccccc2)c1.Cl.
What is the InChIKey of 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is HKVNQDJBHIEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-12(17(19)13-7-5-4-6-8-13)18(21)20-15-11-14(22-2)9-10-16(15)23-3;/h4-12,17H,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119674271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).