2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide

C21H26N2O2 — CID 108967343

IUPAC2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)17-11-6-7-12-18(17)23-20(25)21(4,5)19(24)22-16-10-8-9-15(3)13-16/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyNFJZAVQWQBLCJN-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.72
Rot. Bonds5

About 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide

2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108967343) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108967343
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C21H26N2O2/c1-14(2)17-11-6-7-12-18(17)23-20(25)21(4,5)19(24)22-16-10-8-9-15(3)13-16/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyNFJZAVQWQBLCJN-UHFFFAOYSA-N
XLogP4.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.72
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

N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967800
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
methyl 2-[[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108967382
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
N-(3-methylphenyl)-2-[2-oxo-2-(2-propan-2-ylanilino)ethyl]sulfanylacetamide
CID 7731424
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide (CID 108967343) is 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide is Cc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is NFJZAVQWQBLCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)17-11-6-7-12-18(17)23-20(25)21(4,5)19(24)22-16-10-8-9-15(3)13-16/h6-14H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide?
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108967343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).