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

C23H30N2O4 — CID 113130141

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2c(C)cccc2C(C)C)C(C)=O)c(OC)c1
InChIInChI=1S/C23H30N2O4/c1-15(2)19-9-7-8-16(3)23(19)24-22(27)12-13-25(17(4)26)20-11-10-18(28-5)14-21(20)29-6/h7-11,14-15H,12-13H2,1-6H3,(H,24,27)
InChIKeyBTGFRLFSINTNKB-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.52
Rot. Bonds8

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

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 113130141) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID113130141
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2c(C)cccc2C(C)C)C(C)=O)c(OC)c1
InChIInChI=1S/C23H30N2O4/c1-15(2)19-9-7-8-16(3)23(19)24-22(27)12-13-25(17(4)26)20-11-10-18(28-5)14-21(20)29-6/h7-11,14-15H,12-13H2,1-6H3,(H,24,27)
InChIKeyBTGFRLFSINTNKB-UHFFFAOYSA-N
XLogP4.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2,5-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130022
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113135276
N-(2,4-dimethoxyphenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954579
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113130157
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130872
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
2,4-dimethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 844817

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 113130141) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is COc1ccc(N(CCC(=O)Nc2c(C)cccc2C(C)C)C(C)=O)c(OC)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is BTGFRLFSINTNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15(2)19-9-7-8-16(3)23(19)24-22(27)12-13-25(17(4)26)20-11-10-18(28-5)14-21(20)29-6/h7-11,14-15H,12-13H2,1-6H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 398.50 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113130141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).