3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide

C19H24N2O3 — CID 109019185

IUPAC3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(NCCC(=O)NCc2ccccc2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14-6-4-5-7-15(14)13-21-19(22)10-11-20-16-8-9-17(23-2)18(12-16)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyLJICXXWJZIHRNR-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds8

About 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 109019185) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID109019185
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(NCCC(=O)NCc2ccccc2C)cc1OC
InChIInChI=1S/C19H24N2O3/c1-14-6-4-5-7-15(14)13-21-19(22)10-11-20-16-8-9-17(23-2)18(12-16)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyLJICXXWJZIHRNR-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
3-(2-ethyl-6-methylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022011
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 109019185) is 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide is COc1ccc(NCCC(=O)NCc2ccccc2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is LJICXXWJZIHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-6-4-5-7-15(14)13-21-19(22)10-11-20-16-8-9-17(23-2)18(12-16)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]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-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).