3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide

C19H24N2O3 — CID 109019183

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

About 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 109019183) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID109019183
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(NCCC(=O)NCc2ccccc2C)c1
InChIInChI=1S/C19H24N2O3/c1-14-6-4-5-7-15(14)13-21-19(22)10-11-20-17-12-16(23-2)8-9-18(17)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyLPHJUCHIGBKYOI-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

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
3-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019185
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
3-(2,5-dimethoxyanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028189
3-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022003
N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037085
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265
3-(2-methoxy-5-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 47877777
3-(2-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019162
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 109019183) is 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide is COc1ccc(OC)c(NCCC(=O)NCc2ccccc2C)c1.
What is the InChIKey of 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is LPHJUCHIGBKYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-6-4-5-7-15(14)13-21-19(22)10-11-20-17-12-16(23-2)8-9-18(17)24-3/h4-9,12,20H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(2,5-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-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).