3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C23H30N2O2 — CID 113118994

IUPAC3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cccc1C(C)C)C(C)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-16(2)21-13-9-10-17(3)23(21)24-22(27)14-15-25(19(5)26)18(4)20-11-7-6-8-12-20/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyAHIJPJKNIMPQSE-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.06
Rot. Bonds7

About 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 113118994) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID113118994
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(C)cccc1C(C)C)C(C)c1ccccc1
InChIInChI=1S/C23H30N2O2/c1-16(2)21-13-9-10-17(3)23(21)24-22(27)14-15-25(19(5)26)18(4)20-11-7-6-8-12-20/h6-13,16,18H,14-15H2,1-5H3,(H,24,27)
InChIKeyAHIJPJKNIMPQSE-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109036517
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
N-(3-acetylphenyl)-3-[acetyl(1-phenylethyl)amino]propanamide
CID 113119025
3-(N,4-diacetylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113130872
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
3-[3-methylbutyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113141183
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 113118994) is 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(C)cccc1C(C)C)C(C)c1ccccc1.
What is the InChIKey of 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is AHIJPJKNIMPQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)21-13-9-10-17(3)23(21)24-22(27)14-15-25(19(5)26)18(4)20-11-7-6-8-12-20/h6-13,16,18H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113118994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).