3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide

C19H24N2O3 — CID 109028248

IUPAC3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14-6-4-5-7-16(14)21-19(22)10-11-20-13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyXQMUBNINMZDICN-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds8

About 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide

3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide (PubChem CID 109028248) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
PubChem CID109028248
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
SMILESCOc1ccc(CNCCC(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14-6-4-5-7-16(14)21-19(22)10-11-20-13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyXQMUBNINMZDICN-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 109003069
N-(2-chloro-4,6-dimethylphenyl)-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109028281
2-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-N-(2-methylphenyl)acetamide;hydrochloride
CID 2960401
N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
2-[4-(butylaminomethyl)-2-ethoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 2983903
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
N-[(3,4-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022434
N-(2,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022511

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide (CID 109028248) is 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide is COc1ccc(CNCCC(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide?
The InChIKey is XQMUBNINMZDICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-6-4-5-7-16(14)21-19(22)10-11-20-13-15-8-9-17(23-2)18(12-15)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide?
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide has a molecular weight of 328.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 109028248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).