3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C23H28N2O3 — CID 113130872

IUPAC3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)Nc2c(C)cccc2C(C)C)C(C)=O)cc1
InChIInChI=1S/C23H28N2O3/c1-15(2)21-8-6-7-16(3)23(21)24-22(28)13-14-25(18(5)27)20-11-9-19(10-12-20)17(4)26/h6-12,15H,13-14H2,1-5H3,(H,24,28)
InChIKeyJWSQXEWJFBHTMX-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.70
Rot. Bonds7

About 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 113130872) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID113130872
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)c1ccc(N(CCC(=O)Nc2c(C)cccc2C(C)C)C(C)=O)cc1
InChIInChI=1S/C23H28N2O3/c1-15(2)21-8-6-7-16(3)23(21)24-22(28)13-14-25(18(5)27)20-11-9-19(10-12-20)17(4)26/h6-12,15H,13-14H2,1-5H3,(H,24,28)
InChIKeyJWSQXEWJFBHTMX-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175648
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
2-(N,3-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113175474
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113135276
ethyl 4-[acetyl-[3-(2,6-dimethylanilino)-3-oxopropyl]amino]benzoate
CID 113133356
2-(4-acetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008153
N-(3-acetamidophenyl)-3-(N,4-diacetylanilino)propanamide
CID 113130904
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113174441
3-[(4-acetylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789074
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130141
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994

Frequently Asked Questions

What is the IUPAC name of 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 113130872) is 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CC(=O)c1ccc(N(CCC(=O)Nc2c(C)cccc2C(C)C)C(C)=O)cc1.
What is the InChIKey of 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is JWSQXEWJFBHTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(2)21-8-6-7-16(3)23(21)24-22(28)13-14-25(18(5)27)20-11-9-19(10-12-20)17(4)26/h6-12,15H,13-14H2,1-5H3,(H,24,28).
What are the key properties of 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113130872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).