N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide

C17H25NO4 — CID 15747282

IUPACN-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide
SMILESCCCc1cc(C(C)=O)c(O)cc1OCCCCNC(C)=O
InChIInChI=1S/C17H25NO4/c1-4-7-14-10-15(12(2)19)16(21)11-17(14)22-9-6-5-8-18-13(3)20/h10-11,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyPBNQKTVAIULUCN-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.84
Rot. Bonds9

About N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide

N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide (PubChem CID 15747282) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide
PubChem CID15747282
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide
SMILESCCCc1cc(C(C)=O)c(O)cc1OCCCCNC(C)=O
InChIInChI=1S/C17H25NO4/c1-4-7-14-10-15(12(2)19)16(21)11-17(14)22-9-6-5-8-18-13(3)20/h10-11,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyPBNQKTVAIULUCN-UHFFFAOYSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide?
The IUPAC name of N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide (CID 15747282) is N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide.
What is the SMILES notation for N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide?
The canonical SMILES for N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide is CCCc1cc(C(C)=O)c(O)cc1OCCCCNC(C)=O.
What is the InChIKey of N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide?
The InChIKey is PBNQKTVAIULUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-4-7-14-10-15(12(2)19)16(21)11-17(14)22-9-6-5-8-18-13(3)20/h10-11,21H,4-9H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide?
N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetyl-5-hydroxy-2-propylphenoxy)butyl]acetamide is sourced from PubChem (CID 15747282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).