N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide

C21H26N2O2 — CID 108961574

IUPACN-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-11-15(2)18(16(3)12-14)23-20(25)21(4,5)19(24)22-13-17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyUYEWHSFSAAEWMH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds5

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

N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108961574) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108961574
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)C(C)(C)C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-14-11-15(2)18(16(3)12-14)23-20(25)21(4,5)19(24)22-13-17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyUYEWHSFSAAEWMH-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962017
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108965125
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
N-benzyl-N'-tert-butyl-2,2-dimethylpropanediamide
CID 108961541
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082
N-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N-benzyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108961605
1-benzyl-3-(2-bromo-4,6-dimethylphenyl)urea
CID 103816632
N-(2-chloro-4,6-dimethylphenyl)-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961418
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108961574) is N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is Cc1cc(C)c(NC(=O)C(C)(C)C(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is UYEWHSFSAAEWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-11-15(2)18(16(3)12-14)23-20(25)21(4,5)19(24)22-13-17-9-7-6-8-10-17/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide?
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108961574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).