N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide

C19H22N2O3 — CID 108945706

IUPACN'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-14-7-9-15(10-8-14)12-20-18(22)11-19(23)21-13-16-5-3-4-6-17(16)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMTMNWPZALPEYPH-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.33
Rot. Bonds7

About N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide

N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108945706) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
PubChem CID108945706
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
SMILESCOc1ccccc1CNC(=O)CC(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H22N2O3/c1-14-7-9-15(10-8-14)12-20-18(22)11-19(23)21-13-16-5-3-4-6-17(16)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMTMNWPZALPEYPH-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
N-[2-(2-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 44995797
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
N-[2-(2-methoxyphenyl)ethyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019924
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide (CID 108945706) is N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide is COc1ccccc1CNC(=O)CC(=O)NCc1ccc(C)cc1.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is MTMNWPZALPEYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-7-9-15(10-8-14)12-20-18(22)11-19(23)21-13-16-5-3-4-6-17(16)24-2/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide?
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 326.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).