N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide

C22H28N2O2 — CID 108968066

IUPACN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C22H28N2O2/c1-14(2)17-12-7-8-13-18(17)23-20(25)22(5,6)21(26)24-19-15(3)10-9-11-16(19)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyJONNJWKFQPQEAQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.03
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide

N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108968066) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108968066
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C22H28N2O2/c1-14(2)17-12-7-8-13-18(17)23-20(25)22(5,6)21(26)24-19-15(3)10-9-11-16(19)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyJONNJWKFQPQEAQ-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.03
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
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968087
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
1-(2,6-dimethylphenyl)-3-(2-propan-2-ylphenyl)thiourea
CID 2421699
N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968591
N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968602
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide (CID 108968066) is N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide is Cc1cccc(C)c1NC(=O)C(C)(C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is JONNJWKFQPQEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)17-12-7-8-13-18(17)23-20(25)22(5,6)21(26)24-19-15(3)10-9-11-16(19)4/h7-14H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108968066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).