N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

C21H26N2O3 — CID 108963048

IUPACN-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-14-6-11-18(15(2)12-14)23-20(25)21(3,4)19(24)22-13-16-7-9-17(26-5)10-8-16/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyRCYOUOYPWAYXFF-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.59
Rot. Bonds6

About N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide

N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (PubChem CID 108963048) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
PubChem CID108963048
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
SMILESCOc1ccc(CNC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-14-6-11-18(15(2)12-14)23-20(25)21(3,4)19(24)22-13-16-7-9-17(26-5)10-8-16/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyRCYOUOYPWAYXFF-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.59
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-(2,4-dichlorophenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963110
N-(3-chloro-4-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963073
N-(3-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963070
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963733
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963093
N-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329264
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
1-(2-hydroxy-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868237
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide (CID 108963048) is N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is COc1ccc(CNC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
The InChIKey is RCYOUOYPWAYXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-6-11-18(15(2)12-14)23-20(25)21(3,4)19(24)22-13-16-7-9-17(26-5)10-8-16/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide?
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide has a molecular weight of 354.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108963048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).