N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide

C19H21NO3 — CID 110768011

IUPACN-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(CC(=O)Nc2cccc(C(C)=O)c2)cc1C
InChIInChI=1S/C19H21NO3/c1-12-9-18(23-4)13(2)8-16(12)11-19(22)20-17-7-5-6-15(10-17)14(3)21/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyXKDOHDPBEDTYEH-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.70
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide

N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide (PubChem CID 110768011) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
PubChem CID110768011
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
SMILESCOc1cc(C)c(CC(=O)Nc2cccc(C(C)=O)c2)cc1C
InChIInChI=1S/C19H21NO3/c1-12-9-18(23-4)13(2)8-16(12)11-19(22)20-17-7-5-6-15(10-17)14(3)21/h5-10H,11H2,1-4H3,(H,20,22)
InChIKeyXKDOHDPBEDTYEH-UHFFFAOYSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
N-(4-acetamidophenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768014
N-(3-acetylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2406485
[2-(3-acetylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550166
methyl 3-[[2-(5-acetyl-2-methoxyphenyl)acetyl]amino]benzoate
CID 17410752
N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8719414
N-(3-acetylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009580
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768018
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634
(2S)-N-(3-acetylphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propanamide
CID 8550993

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide (CID 110768011) is N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide is COc1cc(C)c(CC(=O)Nc2cccc(C(C)=O)c2)cc1C.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
The InChIKey is XKDOHDPBEDTYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-9-18(23-4)13(2)8-16(12)11-19(22)20-17-7-5-6-15(10-17)14(3)21/h5-10H,11H2,1-4H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide?
N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 110768011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).