3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide

C17H26N2O2 — CID 113116006

IUPAC3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)CC(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)11-19(15(5)20)9-8-17(21)18-16-7-6-13(3)10-14(16)4/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyPQXZZJMKAATRFV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds6

About 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide

3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide (PubChem CID 113116006) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
PubChem CID113116006
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C)cc1C)CC(C)C
InChIInChI=1S/C17H26N2O2/c1-12(2)11-19(15(5)20)9-8-17(21)18-16-7-6-13(3)10-14(16)4/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21)
InChIKeyPQXZZJMKAATRFV-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116007
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)propanamide
CID 113118806
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
3-[acetyl(2-methoxyethyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113116966
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
2-[acetyl(2-methylpropyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113158975
3-[acetyl(cycloheptyl)amino]-N-(2,4-dimethylphenyl)propanamide
CID 113122707
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113116035
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053
3-[acetyl(2-methylpropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116041
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide (CID 113116006) is 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C)cc1C)CC(C)C.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is PQXZZJMKAATRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-19(15(5)20)9-8-17(21)18-16-7-6-13(3)10-14(16)4/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,21).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide?
3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113116006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).