N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

C23H28N2O3 — CID 108968602

IUPACN-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-14(2)19-9-7-8-15(3)20(19)25-22(28)23(5,6)21(27)24-18-12-10-17(11-13-18)16(4)26/h7-14H,1-6H3,(H,24,27)(H,25,28)
InChIKeySFYIEEQRZWXOSU-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.92
Rot. Bonds6

About N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide

N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108968602) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108968602
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-14(2)19-9-7-8-15(3)20(19)25-22(28)23(5,6)21(27)24-18-12-10-17(11-13-18)16(4)26/h7-14H,1-6H3,(H,24,27)(H,25,28)
InChIKeySFYIEEQRZWXOSU-UHFFFAOYSA-N
XLogP4.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968591
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957314
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316296

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108968602) is N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is SFYIEEQRZWXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-14(2)19-9-7-8-15(3)20(19)25-22(28)23(5,6)21(27)24-18-12-10-17(11-13-18)16(4)26/h7-14H,1-6H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 380.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108968602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).