N,N'-bis(2,4,6-trimethylphenyl)propanediamide

C21H26N2O2 — CID 746178

IUPACN,N'-bis(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-12-7-14(3)20(15(4)8-12)22-18(24)11-19(25)23-21-16(5)9-13(2)10-17(21)6/h7-10H,11H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyIOFPIPAZSGBPEY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.50
Rot. Bonds4

About N,N'-bis(2,4,6-trimethylphenyl)propanediamide

N,N'-bis(2,4,6-trimethylphenyl)propanediamide (PubChem CID 746178) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N,N'-bis(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN,N'-bis(2,4,6-trimethylphenyl)propanediamide
PubChem CID746178
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN,N'-bis(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-12-7-14(3)20(15(4)8-12)22-18(24)11-19(25)23-21-16(5)9-13(2)10-17(21)6/h7-10H,11H2,1-6H3,(H,22,24)(H,23,25)
InChIKeyIOFPIPAZSGBPEY-UHFFFAOYSA-N
XLogP4.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108944231
1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
CID 67992232
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
N-[(4-chlorophenyl)methyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108946756
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N,N'-bis(2,4,6-trimethylphenyl)propanediamide (CID 746178) is N,N'-bis(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N,N'-bis(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N,N'-bis(2,4,6-trimethylphenyl)propanediamide is Cc1cc(C)c(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is IOFPIPAZSGBPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-12-7-14(3)20(15(4)8-12)22-18(24)11-19(25)23-21-16(5)9-13(2)10-17(21)6/h7-10H,11H2,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(2,4,6-trimethylphenyl)propanediamide?
N,N'-bis(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 746178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).