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

C23H29N3O3 — CID 108968604

IUPACN-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C23H29N3O3/c1-14(2)19-9-7-8-15(3)20(19)26-22(29)23(5,6)21(28)25-18-12-10-17(11-13-18)24-16(4)27/h7-14H,1-6H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyZGBNOKZDRDWKIE-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.68
Rot. Bonds6

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

N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (PubChem CID 108968604) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
PubChem CID108968604
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C23H29N3O3/c1-14(2)19-9-7-8-15(3)20(19)26-22(29)23(5,6)21(28)25-18-12-10-17(11-13-18)24-16(4)27/h7-14H,1-6H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyZGBNOKZDRDWKIE-UHFFFAOYSA-N
XLogP4.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.68
H-Bond Donors ≤ 53
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-acetylphenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968602
N-(4-fluorophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968591
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
2-methoxy-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 103029054
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108960266
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
tert-butyl N-(2-methyl-6-propan-2-ylphenyl)carbamate
CID 65142644
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
1-[4-(dimethylamino)phenyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108894700
N-butan-2-yl-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanediamide
CID 108958316
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide (CID 108968604) is N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is CC(=O)Nc1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
The InChIKey is ZGBNOKZDRDWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-14(2)19-9-7-8-15(3)20(19)26-22(29)23(5,6)21(28)25-18-12-10-17(11-13-18)24-16(4)27/h7-14H,1-6H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide?
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide has a molecular weight of 395.50 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108968604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).