2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide

C21H28N2O3 — CID 120591873

IUPAC2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C(C)(N)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-20(2,16-11-12-17(25-4)18(13-16)26-5)14-23-19(24)21(3,22)15-9-7-6-8-10-15/h6-13H,14,22H2,1-5H3,(H,23,24)
InChIKeyJJPYUFOTHQMYLN-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.97
Rot. Bonds7

About 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide

2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide (PubChem CID 120591873) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
PubChem CID120591873
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
SMILESCOc1ccc(C(C)(C)CNC(=O)C(C)(N)c2ccccc2)cc1OC
InChIInChI=1S/C21H28N2O3/c1-20(2,16-11-12-17(25-4)18(13-16)26-5)14-23-19(24)21(3,22)15-9-7-6-8-10-15/h6-13H,14,22H2,1-5H3,(H,23,24)
InChIKeyJJPYUFOTHQMYLN-UHFFFAOYSA-N
XLogP2.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
3-[[2-(3,4-dimethoxyphenyl)-2-methylpropanoyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120701535
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610551
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-phenylethyl)hexanediamide
CID 19838169
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120592099
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119320138
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508
1-(2-cyanophenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213830
2-amino-N-[2-(2-fluorophenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591195

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide (CID 120591873) is 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide is COc1ccc(C(C)(C)CNC(=O)C(C)(N)c2ccccc2)cc1OC.
What is the InChIKey of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide?
The InChIKey is JJPYUFOTHQMYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-20(2,16-11-12-17(25-4)18(13-16)26-5)14-23-19(24)21(3,22)15-9-7-6-8-10-15/h6-13H,14,22H2,1-5H3,(H,23,24).
What are the key properties of 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide?
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide is sourced from PubChem (CID 120591873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).