N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide

C22H28N2O2 — CID 108965816

IUPACN-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NCCCc2ccccc2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-12-13-19(17(2)15-16)24-21(26)22(3,4)20(25)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYCTSEUAZTPCUFQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.02
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide

N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide (PubChem CID 108965816) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
PubChem CID108965816
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NCCCc2ccccc2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-12-13-19(17(2)15-16)24-21(26)22(3,4)20(25)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYCTSEUAZTPCUFQ-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965837
methyl 2-[[2,2-dimethyl-3-oxo-3-(3-phenylpropylamino)propanoyl]amino]benzoate
CID 108965859
N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
CID 108966190
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965035
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N-(2,4-dimethylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963048
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide (CID 108965816) is N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)NCCCc2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
The InChIKey is YCTSEUAZTPCUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-12-13-19(17(2)15-16)24-21(26)22(3,4)20(25)23-14-8-11-18-9-6-5-7-10-18/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide?
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108965816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).