N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide

C22H28N2O2 — CID 108951208

IUPACN'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(2)19-13-7-9-17(3)22(19)24-21(26)15-20(25)23-14-8-12-18-10-5-4-6-11-18/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZZHZAOXOLDDFFS-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.20
Rot. Bonds8

About N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide

N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide (PubChem CID 108951208) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide.

Molecular Properties

Compound NameN'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
PubChem CID108951208
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(2)19-13-7-9-17(3)22(19)24-21(26)15-20(25)23-14-8-12-18-10-5-4-6-11-18/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZZHZAOXOLDDFFS-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.20
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

1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024299
N'-(2-ethyl-6-methylphenyl)-N-(2-phenylethyl)propanediamide
CID 108947975
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120872237

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide?
The IUPAC name of N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide (CID 108951208) is N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide.
What is the SMILES notation for N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide?
The canonical SMILES for N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide is Cc1cccc(C(C)C)c1NC(=O)CC(=O)NCCCc1ccccc1.
What is the InChIKey of N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide?
The InChIKey is ZZHZAOXOLDDFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)19-13-7-9-17(3)22(19)24-21(26)15-20(25)23-14-8-12-18-10-5-4-6-11-18/h4-7,9-11,13,16H,8,12,14-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide?
N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-6-propan-2-ylphenyl)-N-(3-phenylpropyl)propanediamide is sourced from PubChem (CID 108951208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).