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

C22H28N2O2 — CID 108951691

IUPACN'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-15(2)24(14-19-9-7-6-8-10-19)21(26)13-20(25)23-22-17(4)11-16(3)12-18(22)5/h6-12,15H,13-14H2,1-5H3,(H,23,25)
InChIKeyCVQVSOYPRCELCN-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.38
Rot. Bonds6

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

N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108951691) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108951691
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
SMILESCc1cc(C)c(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-15(2)24(14-19-9-7-6-8-10-19)21(26)13-20(25)23-22-17(4)11-16(3)12-18(22)5/h6-12,15H,13-14H2,1-5H3,(H,23,25)
InChIKeyCVQVSOYPRCELCN-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
CID 108503582
N'-benzyl-N'-propan-2-yl-N-(4-propan-2-ylphenyl)propanediamide
CID 108951690
N'-benzyl-N-(2-tert-butylphenyl)-N'-propan-2-ylpropanediamide
CID 108951694
methyl 2-[[3-[benzyl(propan-2-yl)amino]-3-oxopropanoyl]amino]benzoate
CID 108951728
N'-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-propan-2-ylpropanediamide
CID 108951740
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
(Z)-N-benzyl-3-(2-chloro-4,6-dimethylanilino)-2-cyano-N-propan-2-ylprop-2-enamide
CID 108830118
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide (CID 108951691) is N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide is Cc1cc(C)c(NC(=O)CC(=O)N(Cc2ccccc2)C(C)C)c(C)c1.
What is the InChIKey of N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is CVQVSOYPRCELCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15(2)24(14-19-9-7-6-8-10-19)21(26)13-20(25)23-22-17(4)11-16(3)12-18(22)5/h6-12,15H,13-14H2,1-5H3,(H,23,25).
What are the key properties of N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide?
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108951691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).