N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide

C20H24N2O2 — CID 108952923

IUPACN-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-14-7-5-6-8-17(14)22-19(24)13-18(23)21-16-11-9-15(10-12-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMPPHJABDXUCVKD-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.26
Rot. Bonds4

About N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide

N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide (PubChem CID 108952923) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
PubChem CID108952923
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O2/c1-14-7-5-6-8-17(14)22-19(24)13-18(23)21-16-11-9-15(10-12-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyMPPHJABDXUCVKD-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.26
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

1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
N-(4-tert-butylphenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954690
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
N'-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]propanediamide
CID 108945444
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
2-(2-acetylanilino)-N-(4-tert-butylphenyl)acetamide
CID 9103726
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
N-(4-methoxyphenyl)-3-oxobutanamide;N-(2-methylphenyl)-3-oxobutanamide
CID 121282896

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide?
The IUPAC name of N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide (CID 108952923) is N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide?
The InChIKey is MPPHJABDXUCVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-5-6-8-17(14)22-19(24)13-18(23)21-16-11-9-15(10-12-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide?
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide has a molecular weight of 324.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108952923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).