N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

C21H26N2O4 — CID 108954579

IUPACN-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2c(C)cccc2C(C)C)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-13(2)16-8-6-7-14(3)21(16)23-20(25)12-19(24)22-17-10-9-15(26-4)11-18(17)27-5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyHUWGUEAEMDVPDE-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.10
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108954579) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108954579
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCOc1ccc(NC(=O)CC(=O)Nc2c(C)cccc2C(C)C)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-13(2)16-8-6-7-14(3)21(16)23-20(25)12-19(24)22-17-10-9-15(26-4)11-18(17)27-5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyHUWGUEAEMDVPDE-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 844817
2-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)acetamide
CID 26438685
2-(3-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 19203579
2-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 37479068
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130141
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
N'-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955809
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8965693
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2518301
2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 28633130

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108954579) is N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is COc1ccc(NC(=O)CC(=O)Nc2c(C)cccc2C(C)C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is HUWGUEAEMDVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(2)16-8-6-7-14(3)21(16)23-20(25)12-19(24)22-17-10-9-15(26-4)11-18(17)27-5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 370.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108954579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).