N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide

C23H29NO4 — CID 4733397

IUPACN-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
SMILESCCCCCCCOc1cccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C23H29NO4/c1-3-4-5-6-7-15-27-21-9-8-10-22(16-21)28-17-23(26)24-20-13-11-19(12-14-20)18(2)25/h8-14,16H,3-7,15,17H2,1-2H3,(H,24,26)
InChIKeyWPTSKIQNBHAXJV-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.26
Rot. Bonds12

About N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide

N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide (PubChem CID 4733397) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
PubChem CID4733397
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide
SMILESCCCCCCCOc1cccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C23H29NO4/c1-3-4-5-6-7-15-27-21-9-8-10-22(16-21)28-17-23(26)24-20-13-11-19(12-14-20)18(2)25/h8-14,16H,3-7,15,17H2,1-2H3,(H,24,26)
InChIKeyWPTSKIQNBHAXJV-UHFFFAOYSA-N
XLogP5.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.26
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

2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
N-(3-chloro-4-methylphenyl)-2-(3-hexoxyphenoxy)acetamide
CID 4733300
hexyl 4-[[2-(3-chlorophenoxy)acetyl]amino]benzoate
CID 19165925
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
N-(4-acetamidophenyl)-2-(3-acetylphenoxy)acetamide
CID 2627260
1-(3-henicosoxyphenyl)ethanone
CID 23127401
1-[4-[6-[3-[6-(4-acetylphenoxy)hexoxy]phenoxy]hexoxy]phenyl]ethanone
CID 23520521
N-(4-acetamidophenyl)-2-(3-ethoxyphenoxy)acetamide
CID 112977823
N-ethyl-2-(3-pentoxyphenoxy)acetamide
CID 4733263
propyl 4-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
CID 19204042
2-(3-acetylphenoxy)-N-(4-methylphenyl)acetamide
CID 2616941

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide (CID 4733397) is N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide is CCCCCCCOc1cccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide?
The InChIKey is WPTSKIQNBHAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-3-4-5-6-7-15-27-21-9-8-10-22(16-21)28-17-23(26)24-20-13-11-19(12-14-20)18(2)25/h8-14,16H,3-7,15,17H2,1-2H3,(H,24,26).
What are the key properties of N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide?
N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide has a molecular weight of 383.49 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-heptoxyphenoxy)acetamide is sourced from PubChem (CID 4733397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).