N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide

C21H26N2O4 — CID 108961763

IUPACN-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccc2C)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-14-8-6-7-9-15(14)13-22-19(24)21(2,3)20(25)23-17-11-10-16(26-4)12-18(17)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyFOCZWBWYVOGZQE-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.29
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide

N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide (PubChem CID 108961763) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
PubChem CID108961763
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccc2C)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-14-8-6-7-9-15(14)13-22-19(24)21(2,3)20(25)23-17-11-10-16(26-4)12-18(17)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyFOCZWBWYVOGZQE-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962967
N-(2,4-dimethoxyphenyl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962476
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967959
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967373
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
N-(2-ethyl-6-methylphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962937
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide (CID 108961763) is N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)NCc2ccccc2C)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
The InChIKey is FOCZWBWYVOGZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-8-6-7-9-15(14)13-22-19(24)21(2,3)20(25)23-17-11-10-16(26-4)12-18(17)27-5/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide?
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide has a molecular weight of 370.45 g/mol, XLogP of 3.29, 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)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108961763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).