N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide

C20H23NO4 — CID 24534083

IUPACN-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCCCOc1cccc(C)c1
InChIInChI=1S/C20H23NO4/c1-14-6-4-7-18(12-14)24-10-5-11-25-20-13-17(15(2)22)8-9-19(20)21-16(3)23/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,21,23)
InChIKeyJGFOZXPNAIHFSL-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.00
Rot. Bonds8

About N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide

N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide (PubChem CID 24534083) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide
PubChem CID24534083
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)cc1OCCCOc1cccc(C)c1
InChIInChI=1S/C20H23NO4/c1-14-6-4-7-18(12-14)24-10-5-11-25-20-13-17(15(2)22)8-9-19(20)21-16(3)23/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,21,23)
InChIKeyJGFOZXPNAIHFSL-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
1-[4-[2-(3-methylphenoxy)ethylsulfonyl]phenyl]ethanone
CID 94780477
4-[3-(3-methylphenoxy)propoxy]-N-(2-methylphenyl)benzamide
CID 7709509
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
2-[3-(3-methylphenoxy)propoxy]benzoic acid
CID 43214606
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-[4-[2-(3-methylphenoxy)acetyl]phenyl]acetamide
CID 167959701
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide?
The IUPAC name of N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide (CID 24534083) is N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide?
The canonical SMILES for N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide is CC(=O)Nc1ccc(C(C)=O)cc1OCCCOc1cccc(C)c1.
What is the InChIKey of N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide?
The InChIKey is JGFOZXPNAIHFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-6-4-7-18(12-14)24-10-5-11-25-20-13-17(15(2)22)8-9-19(20)21-16(3)23/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide?
N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-[3-(3-methylphenoxy)propoxy]phenyl]acetamide is sourced from PubChem (CID 24534083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).