N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide

C20H24N2O5 — CID 108953821

IUPACN'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2c(C)cccc2C)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-12-7-6-8-13(2)19(12)22-18(24)11-17(23)21-14-9-15(25-3)20(27-5)16(10-14)26-4/h6-10H,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyQXVZQTZWVQKASK-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.30
Rot. Bonds7

About N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide

N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide (PubChem CID 108953821) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
PubChem CID108953821
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide
SMILESCOc1cc(NC(=O)CC(=O)Nc2c(C)cccc2C)cc(OC)c1OC
InChIInChI=1S/C20H24N2O5/c1-12-7-6-8-13(2)19(12)22-18(24)11-17(23)21-14-9-15(25-3)20(27-5)16(10-14)26-4/h6-10H,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyQXVZQTZWVQKASK-UHFFFAOYSA-N
XLogP3.30
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
2-[(2-methylphenyl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113000941
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55864978
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112996998
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide (CID 108953821) is N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide is COc1cc(NC(=O)CC(=O)Nc2c(C)cccc2C)cc(OC)c1OC.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
The InChIKey is QXVZQTZWVQKASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-7-6-8-13(2)19(12)22-18(24)11-17(23)21-14-9-15(25-3)20(27-5)16(10-14)26-4/h6-10H,11H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide?
N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide has a molecular weight of 372.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-(3,4,5-trimethoxyphenyl)propanediamide is sourced from PubChem (CID 108953821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).