N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide

C19H21NO3 — CID 4803683

IUPACN-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCC(=O)c1ccccc1NC(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C19H21NO3/c1-13-8-9-14(2)18(12-13)23-11-10-19(22)20-17-7-5-4-6-16(17)15(3)21/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyLLERHUSBMWNROD-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.91
Rot. Bonds6

About N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide

N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 4803683) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
PubChem CID4803683
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide
SMILESCC(=O)c1ccccc1NC(=O)CCOc1cc(C)ccc1C
InChIInChI=1S/C19H21NO3/c1-13-8-9-14(2)18(12-13)23-11-10-19(22)20-17-7-5-4-6-16(17)15(3)21/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyLLERHUSBMWNROD-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78810123
[3-(2-cyanoanilino)-3-oxopropyl] 3-(2,5-dimethylphenoxy)propanoate
CID 18267761
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955
N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
CID 7780022
3-(2,5-dimethylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 78799816
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
N-(2,5-diethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 31526543

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide (CID 4803683) is N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide is CC(=O)c1ccccc1NC(=O)CCOc1cc(C)ccc1C.
What is the InChIKey of N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is LLERHUSBMWNROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-8-9-14(2)18(12-13)23-11-10-19(22)20-17-7-5-4-6-16(17)15(3)21/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide?
N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 4803683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).