4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

C20H23NO3 — CID 2677349

IUPAC4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-15-5-7-17(8-6-15)14-21-20(23)4-3-13-24-19-11-9-18(10-12-19)16(2)22/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyANMPNNDRVYQYBP-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.67
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 2677349) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID2677349
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO3/c1-15-5-7-17(8-6-15)14-21-20(23)4-3-13-24-19-11-9-18(10-12-19)16(2)22/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyANMPNNDRVYQYBP-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(4-methylphenoxy)butanoylamino]methyl]benzoate
CID 38016515
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
4-(4-acetylphenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38530939
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400
4-[[4-(4-methylsulfonylphenoxy)butanoylamino]methyl]benzoic acid
CID 119165399
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
3-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108789911

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 2677349) is 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is CC(=O)c1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is ANMPNNDRVYQYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-5-7-17(8-6-15)14-21-20(23)4-3-13-24-19-11-9-18(10-12-19)16(2)22/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 325.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 2677349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).