2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

C21H26N2O3 — CID 108967269

IUPAC2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C21H26N2O3/c1-14(2)26-18-13-9-8-12-17(18)23-20(25)21(4,5)19(24)22-16-11-7-6-10-15(16)3/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyGUTRBNRFXQZZME-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.39
Rot. Bonds6

About 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108967269) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108967269
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C
InChIInChI=1S/C21H26N2O3/c1-14(2)26-18-13-9-8-12-17(18)23-20(25)21(4,5)19(24)22-16-11-7-6-10-15(16)3/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyGUTRBNRFXQZZME-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
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-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
2,2-dimethyl-N-(2-methylpropyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108958088
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969587
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108961120
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108966217
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108967751

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108967269) is 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is Cc1ccccc1NC(=O)C(C)(C)C(=O)Nc1ccccc1OC(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is GUTRBNRFXQZZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)26-18-13-9-8-12-17(18)23-20(25)21(4,5)19(24)22-16-11-7-6-10-15(16)3/h6-14H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 354.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108967269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).