4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide

C22H27NO3 — CID 78853768

IUPAC4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
SMILESCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1ccc(C)cc1C
InChIInChI=1S/C22H27NO3/c1-5-23(21-13-8-16(2)15-17(21)3)22(25)7-6-14-26-20-11-9-19(10-12-20)18(4)24/h8-13,15H,5-7,14H2,1-4H3
InChIKeyKKVUTZCSOHPSMT-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.72
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide

4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide (PubChem CID 78853768) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
PubChem CID78853768
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide
SMILESCCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1ccc(C)cc1C
InChIInChI=1S/C22H27NO3/c1-5-23(21-13-8-16(2)15-17(21)3)22(25)7-6-14-26-20-11-9-19(10-12-20)18(4)24/h8-13,15H,5-7,14H2,1-4H3
InChIKeyKKVUTZCSOHPSMT-UHFFFAOYSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-ethyl-2,4-dimethylanilino)-4-oxobutyl]-4-methoxybenzamide
CID 55625452
4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide
CID 112817531
N-ethyl-4-(4-fluorophenoxy)-N-(2-methylphenyl)butanamide
CID 78847364
1-(4-pentoxyphenyl)ethanone;1,4-xylene
CID 142206673
2-chloro-N-(2,4-dimethylphenyl)-N-ethylacetamide
CID 131561562
4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 78781704
2-[4-(4-acetylphenoxy)butanoyl-methylamino]acetic acid
CID 119171961
1-(4-acetylphenoxy)heptan-4-one
CID 155105083
2-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113167920
4-(4-acetylphenoxy)-N-(2-fluoro-5-methylphenyl)butanamide
CID 78769431
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide (CID 78853768) is 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide is CCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1ccc(C)cc1C.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide?
The InChIKey is KKVUTZCSOHPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-5-23(21-13-8-16(2)15-17(21)3)22(25)7-6-14-26-20-11-9-19(10-12-20)18(4)24/h8-13,15H,5-7,14H2,1-4H3.
What are the key properties of 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide?
4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide has a molecular weight of 353.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(2,4-dimethylphenyl)-N-ethylbutanamide is sourced from PubChem (CID 78853768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).