N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

C23H30N2O4 — CID 108965125

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-14-10-15(2)20(16(3)11-14)25-22(27)23(4,5)21(26)24-13-17-8-9-18(28-6)19(12-17)29-7/h8-12H,13H2,1-7H3,(H,24,26)(H,25,27)
InChIKeyXSUFHJXVKRHDEN-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.91
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108965125) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108965125
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-14-10-15(2)20(16(3)11-14)25-22(27)23(4,5)21(26)24-13-17-8-9-18(28-6)19(12-17)29-7/h8-12H,13H2,1-7H3,(H,24,26)(H,25,27)
InChIKeyXSUFHJXVKRHDEN-UHFFFAOYSA-N
XLogP3.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.91
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

N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-tert-butyl-N'-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108965097
N-[(3,4-dimethoxyphenyl)methyl]-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108965127
N-[(3,4-dimethoxyphenyl)methyl]-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960213
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 2291243
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962017
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962124
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165703
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
2-(N-acetyl-2,4,6-trimethylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113169975
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108965012
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108965125) is N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is COc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is XSUFHJXVKRHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-14-10-15(2)20(16(3)11-14)25-22(27)23(4,5)21(26)24-13-17-8-9-18(28-6)19(12-17)29-7/h8-12H,13H2,1-7H3,(H,24,26)(H,25,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 398.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108965125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).