3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride

C21H29ClN2O3 — CID 120610551

IUPAC3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)CCc2ccccc2N)cc1OC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-21(2,16-10-11-18(25-3)19(13-16)26-4)14-23-20(24)12-9-15-7-5-6-8-17(15)22;/h5-8,10-11,13H,9,12,14,22H2,1-4H3,(H,23,24);1H
InChIKeyXFPXWWWQWQAMEI-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.73
Rot. Bonds8

About 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride (PubChem CID 120610551) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
PubChem CID120610551
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)CCc2ccccc2N)cc1OC.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-21(2,16-10-11-18(25-3)19(13-16)26-4)14-23-20(24)12-9-15-7-5-6-8-17(15)22;/h5-8,10-11,13H,9,12,14,22H2,1-4H3,(H,23,24);1H
InChIKeyXFPXWWWQWQAMEI-UHFFFAOYSA-N
XLogP3.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-N-(2-phenylethyl)hexanediamide
CID 19838169
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenoxyacetamide
CID 110442244
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
3-(2-aminophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]propanamide;hydrochloride
CID 120610225
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)propanamide;hydrochloride
CID 120610929
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
CID 120610426
3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
1-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(2-ethoxyphenyl)urea
CID 113213798

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride (CID 120610551) is 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)CCc2ccccc2N)cc1OC.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
The InChIKey is XFPXWWWQWQAMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-21(2,16-10-11-18(25-3)19(13-16)26-4)14-23-20(24)12-9-15-7-5-6-8-17(15)22;/h5-8,10-11,13H,9,12,14,22H2,1-4H3,(H,23,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propanamide;hydrochloride is sourced from PubChem (CID 120610551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).