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

C19H23NO3 — CID 110755878

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2ccccc2C)cc1OC
InChIInChI=1S/C19H23NO3/c1-14-6-4-5-7-16(14)9-11-19(21)20-13-15-8-10-17(22-2)18(12-15)23-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,20,21)
InChIKeyHSHXLECZQIYTAJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.26
Rot. Bonds7

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

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide (PubChem CID 110755878) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
PubChem CID110755878
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
SMILESCOc1ccc(CNC(=O)CCc2ccccc2C)cc1OC
InChIInChI=1S/C19H23NO3/c1-14-6-4-5-7-16(14)9-11-19(21)20-13-15-8-10-17(22-2)18(12-15)23-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,20,21)
InChIKeyHSHXLECZQIYTAJ-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 120607855
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
4-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 22686463
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 39971234
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
N-[(3,4-dimethoxyphenyl)methyl]-3-[5-(dimethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 100556358
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(2-methylphenyl)acetamide
CID 54776657
N-[(3,4-dimethoxyphenyl)methyl]-N'-[(2-fluorophenyl)methyl]propanediamide
CID 108946228
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide (CID 110755878) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide is COc1ccc(CNC(=O)CCc2ccccc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide?
The InChIKey is HSHXLECZQIYTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14-6-4-5-7-16(14)9-11-19(21)20-13-15-8-10-17(22-2)18(12-15)23-3/h4-8,10,12H,9,11,13H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 110755878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).